6-(5-methyl-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C21H21F3N6 — CID 25033574

IUPAC6-(5-methyl-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(N[C@H](C)c4ccc(C(F)(F)F)nc4)c3C2)nc1
InChIInChI=1S/C21H21F3N6/c1-13-3-6-19(26-9-13)30-8-7-17-16(11-30)20(28-12-27-17)29-14(2)15-4-5-18(25-10-15)21(22,23)24/h3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,27,28,29)/t14-/m1/s1
InChIKeyICLOKAIXSUXTKZ-CQSZACIVSA-N
MW414.44 g/mol
LogP4.33
Rot. Bonds4

About 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

6-(5-methyl-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 25033574) has the molecular formula C21H21F3N6 and a molecular weight of 414.44 g/mol. Its IUPAC name is 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-methyl-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID25033574
Molecular FormulaC21H21F3N6
Molecular Weight414.44 g/mol
Exact Mass414.18
IUPAC Name6-(5-methyl-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(N[C@H](C)c4ccc(C(F)(F)F)nc4)c3C2)nc1
InChIInChI=1S/C21H21F3N6/c1-13-3-6-19(26-9-13)30-8-7-17-16(11-30)20(28-12-27-17)29-14(2)15-4-5-18(25-10-15)21(22,23)24/h3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,27,28,29)/t14-/m1/s1
InChIKeyICLOKAIXSUXTKZ-CQSZACIVSA-N
XLogP4.33
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

(3R)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 25032425
N-[1-(4-ethoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033181
6-(5-chloro-2-pyridinyl)-N-[cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;ethane
CID 145489919
6-(5-methyl-2-pyridinyl)-N-(1-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033089
(3R)-3-[[6-(2-amino-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 70278352
N-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 69010063
N-[(6-chloro-3-pyridinyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25217788
[3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl] acetate
CID 74423998
(3R)-3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;4-chloro-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 162100884
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(5-bromo-2-pyridinyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 175179861
6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;5-chloro-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 158559698
N-[(5-chloro-2-methylphenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 59346485

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 25033574) is 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccc(C(F)(F)F)nc4)c3C2)nc1.
What is the InChIKey of 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is ICLOKAIXSUXTKZ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21F3N6/c1-13-3-6-19(26-9-13)30-8-7-17-16(11-30)20(28-12-27-17)29-14(2)15-4-5-18(25-10-15)21(22,23)24/h3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,27,28,29)/t14-/m1/s1.
What are the key properties of 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
6-(5-methyl-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 414.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25033574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).