1-methyl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-d]pyrimidine

C8H13N3 — CID 141463016

IUPAC1-methyl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-d]pyrimidine
SMILESCN1CNCC2NC=CC=C21
InChIInChI=1S/C8H13N3/c1-11-6-9-5-7-8(11)3-2-4-10-7/h2-4,7,9-10H,5-6H2,1H3
InChIKeyKBTJPOOFDCBOIU-UHFFFAOYSA-N
MW151.21 g/mol
LogP-0.15
Rot. Bonds

About 1-methyl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-d]pyrimidine

1-methyl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-d]pyrimidine (PubChem CID 141463016) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-methyl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-d]pyrimidine
PubChem CID141463016
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-methyl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-d]pyrimidine
SMILESCN1CNCC2NC=CC=C21
InChIInChI=1S/C8H13N3/c1-11-6-9-5-7-8(11)3-2-4-10-7/h2-4,7,9-10H,5-6H2,1H3
InChIKeyKBTJPOOFDCBOIU-UHFFFAOYSA-N
XLogP-0.15
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-d]pyrimidine?
The IUPAC name of 1-methyl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-d]pyrimidine (CID 141463016) is 1-methyl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 1-methyl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-d]pyrimidine?
The canonical SMILES for 1-methyl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-d]pyrimidine is CN1CNCC2NC=CC=C21.
What is the InChIKey of 1-methyl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-d]pyrimidine?
The InChIKey is KBTJPOOFDCBOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-11-6-9-5-7-8(11)3-2-4-10-7/h2-4,7,9-10H,5-6H2,1H3.
What are the key properties of 1-methyl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-d]pyrimidine?
1-methyl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-d]pyrimidine has a molecular weight of 151.21 g/mol, XLogP of -0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4,4a,5-tetrahydro-2H-pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 141463016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).