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

C17H19ClN4 — CID 24916607

IUPAC6-[(6-chloro-4-methyl-3-pyridinyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1cc(Cl)ncc1CN1CCc2nc(C3CC3)ncc2C1
InChIInChI=1S/C17H19ClN4/c1-11-6-16(18)19-7-13(11)9-22-5-4-15-14(10-22)8-20-17(21-15)12-2-3-12/h6-8,12H,2-5,9-10H2,1H3
InChIKeyLORIIZMSIINQOJ-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.27
Rot. Bonds3

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

6-[(6-chloro-4-methyl-3-pyridinyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24916607) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 6-[(6-chloro-4-methyl-3-pyridinyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(6-chloro-4-methyl-3-pyridinyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24916607
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name6-[(6-chloro-4-methyl-3-pyridinyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1cc(Cl)ncc1CN1CCc2nc(C3CC3)ncc2C1
InChIInChI=1S/C17H19ClN4/c1-11-6-16(18)19-7-13(11)9-22-5-4-15-14(10-22)8-20-17(21-15)12-2-3-12/h6-8,12H,2-5,9-10H2,1H3
InChIKeyLORIIZMSIINQOJ-UHFFFAOYSA-N
XLogP3.27
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

2-cyclopropyl-6-[(2,5-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928853
2-cyclopropyl-6-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911693
2-cyclopropyl-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930113
6-[(2-chloro-6-methylphenyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929273
2-cyclopropyl-6-[(2-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917677
2-chloro-5-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24911483
4-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 24913667
6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912305
4-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2,5-dimethyl-1,3-oxazole
CID 24913625
3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol
CID 24928286
2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol
CID 24929714
2-cyclohexyl-6-[(2,6-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929003

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-4-methyl-3-pyridinyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(6-chloro-4-methyl-3-pyridinyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24916607) is 6-[(6-chloro-4-methyl-3-pyridinyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(6-chloro-4-methyl-3-pyridinyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(6-chloro-4-methyl-3-pyridinyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1cc(Cl)ncc1CN1CCc2nc(C3CC3)ncc2C1.
What is the InChIKey of 6-[(6-chloro-4-methyl-3-pyridinyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is LORIIZMSIINQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4/c1-11-6-16(18)19-7-13(11)9-22-5-4-15-14(10-22)8-20-17(21-15)12-2-3-12/h6-8,12H,2-5,9-10H2,1H3.
What are the key properties of 6-[(6-chloro-4-methyl-3-pyridinyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(6-chloro-4-methyl-3-pyridinyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 314.82 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-4-methyl-3-pyridinyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24916607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).