6-(5-methyl-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C21H20F3N5O — CID 59346463

IUPAC6-(5-methyl-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NCc4ccc(OC(F)(F)F)cc4)c3C2)nc1
InChIInChI=1S/C21H20F3N5O/c1-14-2-7-19(25-10-14)29-9-8-18-17(12-29)20(28-13-27-18)26-11-15-3-5-16(6-4-15)30-21(22,23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,26,27,28)
InChIKeyUXBPIWLTSQTCOS-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.25
Rot. Bonds5

About 6-(5-methyl-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

6-(5-methyl-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 59346463) has the molecular formula C21H20F3N5O and a molecular weight of 415.42 g/mol. Its IUPAC name is 6-(5-methyl-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-methyl-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID59346463
Molecular FormulaC21H20F3N5O
Molecular Weight415.42 g/mol
Exact Mass415.16
IUPAC Name6-(5-methyl-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NCc4ccc(OC(F)(F)F)cc4)c3C2)nc1
InChIInChI=1S/C21H20F3N5O/c1-14-2-7-19(25-10-14)29-9-8-18-17(12-29)20(28-13-27-18)26-11-15-3-5-16(6-4-15)30-21(22,23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,26,27,28)
InChIKeyUXBPIWLTSQTCOS-UHFFFAOYSA-N
XLogP4.25
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(5-methyl-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 59346463) is 6-(5-methyl-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(5-methyl-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(5-methyl-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1ccc(N2CCc3ncnc(NCc4ccc(OC(F)(F)F)cc4)c3C2)nc1.
What is the InChIKey of 6-(5-methyl-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is UXBPIWLTSQTCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O/c1-14-2-7-19(25-10-14)29-9-8-18-17(12-29)20(28-13-27-18)26-11-15-3-5-16(6-4-15)30-21(22,23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,26,27,28).
What are the key properties of 6-(5-methyl-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
6-(5-methyl-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 415.42 g/mol, XLogP of 4.25, 5 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-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59346463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).