[2-(2-chlorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine

C15H17ClN4 — CID 28904281

IUPAC[2-(2-chlorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine
SMILESCN1CCc2nc(-c3ccccc3Cl)nc(CN)c2C1
InChIInChI=1S/C15H17ClN4/c1-20-7-6-13-11(9-20)14(8-17)19-15(18-13)10-4-2-3-5-12(10)16/h2-5H,6-9,17H2,1H3
InChIKeyUVDVHLTVQAPUKZ-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.24
Rot. Bonds2

About [2-(2-chlorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine

[2-(2-chlorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine (PubChem CID 28904281) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine
PubChem CID28904281
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name[2-(2-chlorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine
SMILESCN1CCc2nc(-c3ccccc3Cl)nc(CN)c2C1
InChIInChI=1S/C15H17ClN4/c1-20-7-6-13-11(9-20)14(8-17)19-15(18-13)10-4-2-3-5-12(10)16/h2-5H,6-9,17H2,1H3
InChIKeyUVDVHLTVQAPUKZ-UHFFFAOYSA-N
XLogP2.24
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(2-chlorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine (CID 28904281) is [2-(2-chlorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(2-chlorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(2-chlorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine is CN1CCc2nc(-c3ccccc3Cl)nc(CN)c2C1.
What is the InChIKey of [2-(2-chlorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine?
The InChIKey is UVDVHLTVQAPUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-20-7-6-13-11(9-20)14(8-17)19-15(18-13)10-4-2-3-5-12(10)16/h2-5H,6-9,17H2,1H3.
What are the key properties of [2-(2-chlorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine?
[2-(2-chlorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine has a molecular weight of 288.78 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine is sourced from PubChem (CID 28904281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).