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

C19H19ClN6 — CID 25217788

IUPACN-[(6-chloro-3-pyridinyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NCc4ccc(Cl)nc4)c3C2)nc1
InChIInChI=1S/C19H19ClN6/c1-13-2-5-18(22-8-13)26-7-6-16-15(11-26)19(25-12-24-16)23-10-14-3-4-17(20)21-9-14/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,23,24,25)
InChIKeyGEZVXOQJINIJLG-UHFFFAOYSA-N
MW366.86 g/mol
LogP3.40
Rot. Bonds4

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

N-[(6-chloro-3-pyridinyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 25217788) has the molecular formula C19H19ClN6 and a molecular weight of 366.86 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID25217788
Molecular FormulaC19H19ClN6
Molecular Weight366.86 g/mol
Exact Mass366.14
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NCc4ccc(Cl)nc4)c3C2)nc1
InChIInChI=1S/C19H19ClN6/c1-13-2-5-18(22-8-13)26-7-6-16-15(11-26)19(25-12-24-16)23-10-14-3-4-17(20)21-9-14/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,23,24,25)
InChIKeyGEZVXOQJINIJLG-UHFFFAOYSA-N
XLogP3.40
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-2-methylphenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 59346485
6-(5-methyl-2-pyridinyl)-N-(quinolin-6-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 59346510
N-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 69010063
N-[2-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 69010860
6-(5-methyl-2-pyridinyl)-N-(1-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033089
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-methyl-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033574
5-chloro-2-[4-[(6-methoxy-3-pyridinyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile
CID 25062409
(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-[(6-methyl-3-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55142080
7-(5-methyl-2-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-2,7-naphthyridin-1-amine
CID 162564278
(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

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 25217788) is N-[(6-chloro-3-pyridinyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1ccc(N2CCc3ncnc(NCc4ccc(Cl)nc4)c3C2)nc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is GEZVXOQJINIJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6/c1-13-2-5-18(22-8-13)26-7-6-16-15(11-26)19(25-12-24-16)23-10-14-3-4-17(20)21-9-14/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,23,24,25).
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N-[(6-chloro-3-pyridinyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 366.86 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25217788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).