2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C20H18ClFN4 — CID 142948403

IUPAC2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1CNCC2
InChIInChI=1S/C20H18ClFN4/c1-12-4-2-3-5-17(12)24-20-15-11-23-9-8-18(15)25-19(26-20)14-10-13(21)6-7-16(14)22/h2-7,10,23H,8-9,11H2,1H3,(H,24,25,26)
InChIKeySREFWAFQOYDMKS-UHFFFAOYSA-N
MW368.84 g/mol
LogP4.63
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 142948403) has the molecular formula C20H18ClFN4 and a molecular weight of 368.84 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID142948403
Molecular FormulaC20H18ClFN4
Molecular Weight368.84 g/mol
Exact Mass368.12
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1CNCC2
InChIInChI=1S/C20H18ClFN4/c1-12-4-2-3-5-17(12)24-20-15-11-23-9-8-18(15)25-19(26-20)14-10-13(21)6-7-16(14)22/h2-7,10,23H,8-9,11H2,1H3,(H,24,25,26)
InChIKeySREFWAFQOYDMKS-UHFFFAOYSA-N
XLogP4.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145249
6-benzyl-2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 58865993
2-(5-chloro-2-fluorophenyl)-5-methyl-N-(3-methyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 21104316
8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
CID 5136482
2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106820049
4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117102157
7-chloro-N-(2-methylphenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 20858370
methyl 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 58866023
2-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101449
2-(2-methylphenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737929
2-methoxy-N-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117102067
2-(4-fluoro-3-methylphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737805

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 142948403) is 2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is Cc1ccccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1CNCC2.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is SREFWAFQOYDMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4/c1-12-4-2-3-5-17(12)24-20-15-11-23-9-8-18(15)25-19(26-20)14-10-13(21)6-7-16(14)22/h2-7,10,23H,8-9,11H2,1H3,(H,24,25,26).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 368.84 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 142948403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).