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

C13H14ClN5 — CID 24911370

IUPAC6-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CCN(Cc1cccnc1Cl)C2
InChIInChI=1S/C13H14ClN5/c14-12-9(2-1-4-16-12)7-19-5-3-11-10(8-19)6-17-13(15)18-11/h1-2,4,6H,3,5,7-8H2,(H2,15,17,18)
InChIKeyAXFJKXVSGPQICL-UHFFFAOYSA-N
MW275.74 g/mol
LogP1.67
Rot. Bonds2

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

6-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 24911370) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID24911370
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name6-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CCN(Cc1cccnc1Cl)C2
InChIInChI=1S/C13H14ClN5/c14-12-9(2-1-4-16-12)7-19-5-3-11-10(8-19)6-17-13(15)18-11/h1-2,4,6H,3,5,7-8H2,(H2,15,17,18)
InChIKeyAXFJKXVSGPQICL-UHFFFAOYSA-N
XLogP1.67
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

6-[(2-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913806
3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-chlorophenol
CID 24929118
6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24917249
6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24929895
3-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine
CID 24911662
6-(pyrimidin-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913428
6-[[6-(3,5-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24914415
6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24909732
5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine
CID 24912252
6-[(2,6-dichloro-3-pyridinyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916719
6-[(2-fluoro-3-pyridinyl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913089
6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24912861

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 24911370) is 6-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is Nc1ncc2c(n1)CCN(Cc1cccnc1Cl)C2.
What is the InChIKey of 6-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is AXFJKXVSGPQICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c14-12-9(2-1-4-16-12)7-19-5-3-11-10(8-19)6-17-13(15)18-11/h1-2,4,6H,3,5,7-8H2,(H2,15,17,18).
What are the key properties of 6-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 275.74 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 24911370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).