2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine

C14H10ClFN4 — CID 118239615

IUPAC2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1cccc(CNc2nc(Cl)nc3cccnc23)c1
InChIInChI=1S/C14H10ClFN4/c15-14-19-11-5-2-6-17-12(11)13(20-14)18-8-9-3-1-4-10(16)7-9/h1-7H,8H2,(H,18,19,20)
InChIKeyKYWDAUFJYAPOIO-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.43
Rot. Bonds3

About 2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine

2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 118239615) has the molecular formula C14H10ClFN4 and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID118239615
Molecular FormulaC14H10ClFN4
Molecular Weight288.71 g/mol
Exact Mass288.06
IUPAC Name2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1cccc(CNc2nc(Cl)nc3cccnc23)c1
InChIInChI=1S/C14H10ClFN4/c15-14-19-11-5-2-6-17-12(11)13(20-14)18-8-9-3-1-4-10(16)7-9/h1-7H,8H2,(H,18,19,20)
InChIKeyKYWDAUFJYAPOIO-UHFFFAOYSA-N
XLogP3.43
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-fluoro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 79080713
2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine
CID 88886857
6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine
CID 43674609
N-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine
CID 155102646
3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 102755761
3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine
CID 102983663
6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine
CID 14022412
8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine
CID 43450144
N-[(3-fluorophenyl)methyl]-3-propan-2-yloxypyridin-2-amine
CID 112547893
N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine
CID 69221219
4-chloro-6-[(3-fluorophenyl)methylamino]-2-methylpyrimidine-5-carbaldehyde
CID 80732223
N-benzyl-2,5-dichloroquinazolin-4-amine
CID 87550452

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine (CID 118239615) is 2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine is Fc1cccc(CNc2nc(Cl)nc3cccnc23)c1.
What is the InChIKey of 2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is KYWDAUFJYAPOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4/c15-14-19-11-5-2-6-17-12(11)13(20-14)18-8-9-3-1-4-10(16)7-9/h1-7H,8H2,(H,18,19,20).
What are the key properties of 2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine?
2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 288.71 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 118239615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).