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

C17H20N4 — CID 24917677

IUPAC2-cyclopropyl-6-[(2-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ncccc1CN1CCc2nc(C3CC3)ncc2C1
InChIInChI=1S/C17H20N4/c1-12-14(3-2-7-18-12)10-21-8-6-16-15(11-21)9-19-17(20-16)13-4-5-13/h2-3,7,9,13H,4-6,8,10-11H2,1H3
InChIKeyXJDFXKZGBXHMRV-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.62
Rot. Bonds3

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

2-cyclopropyl-6-[(2-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24917677) has the molecular formula C17H20N4 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(2-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-6-[(2-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24917677
Molecular FormulaC17H20N4
Molecular Weight280.37 g/mol
Exact Mass280.17
IUPAC Name2-cyclopropyl-6-[(2-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ncccc1CN1CCc2nc(C3CC3)ncc2C1
InChIInChI=1S/C17H20N4/c1-12-14(3-2-7-18-12)10-21-8-6-16-15(11-21)9-19-17(20-16)13-4-5-13/h2-3,7,9,13H,4-6,8,10-11H2,1H3
InChIKeyXJDFXKZGBXHMRV-UHFFFAOYSA-N
XLogP2.62
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(2-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-cyclopropyl-6-[(2-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24917677) is 2-cyclopropyl-6-[(2-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-6-[(2-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-cyclopropyl-6-[(2-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ncccc1CN1CCc2nc(C3CC3)ncc2C1.
What is the InChIKey of 2-cyclopropyl-6-[(2-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is XJDFXKZGBXHMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-12-14(3-2-7-18-12)10-21-8-6-16-15(11-21)9-19-17(20-16)13-4-5-13/h2-3,7,9,13H,4-6,8,10-11H2,1H3.
What are the key properties of 2-cyclopropyl-6-[(2-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-cyclopropyl-6-[(2-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 280.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(2-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24917677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).