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

C20H19ClFN5 — CID 59346518

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NCc4cc(Cl)ccc4F)c3C2)nc1
InChIInChI=1S/C20H19ClFN5/c1-13-2-5-19(23-9-13)27-7-6-18-16(11-27)20(26-12-25-18)24-10-14-8-15(21)3-4-17(14)22/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,24,25,26)
InChIKeyLPMGTRACHQEKGP-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.15
Rot. Bonds4

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

N-[(5-chloro-2-fluorophenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 59346518) has the molecular formula C20H19ClFN5 and a molecular weight of 383.86 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID59346518
Molecular FormulaC20H19ClFN5
Molecular Weight383.86 g/mol
Exact Mass383.13
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NCc4cc(Cl)ccc4F)c3C2)nc1
InChIInChI=1S/C20H19ClFN5/c1-13-2-5-19(23-9-13)27-7-6-18-16(11-27)20(26-12-25-18)24-10-14-8-15(21)3-4-17(14)22/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,24,25,26)
InChIKeyLPMGTRACHQEKGP-UHFFFAOYSA-N
XLogP4.15
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 59346518) is N-[(5-chloro-2-fluorophenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1ccc(N2CCc3ncnc(NCc4cc(Cl)ccc4F)c3C2)nc1.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is LPMGTRACHQEKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5/c1-13-2-5-19(23-9-13)27-7-6-18-16(11-27)20(26-12-25-18)24-10-14-8-15(21)3-4-17(14)22/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,24,25,26).
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N-[(5-chloro-2-fluorophenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 383.86 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59346518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).