7-methyl-4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine

C9H13N3 — CID 142485684

IUPAC7-methyl-4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine
SMILESC=C1NC=NC2=C1CNC(C)C2
InChIInChI=1S/C9H13N3/c1-6-3-9-8(4-10-6)7(2)11-5-12-9/h5-6,10H,2-4H2,1H3,(H,11,12)
InChIKeyHCRJZJORCLGCQG-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.77
Rot. Bonds

About 7-methyl-4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine

7-methyl-4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine (PubChem CID 142485684) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 7-methyl-4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-methyl-4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine
PubChem CID142485684
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name7-methyl-4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine
SMILESC=C1NC=NC2=C1CNC(C)C2
InChIInChI=1S/C9H13N3/c1-6-3-9-8(4-10-6)7(2)11-5-12-9/h5-6,10H,2-4H2,1H3,(H,11,12)
InChIKeyHCRJZJORCLGCQG-UHFFFAOYSA-N
XLogP0.77
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-Dimethyl-3,4,7,8-tetrahydroquinazoline
CID 135393541
8-Methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 90291949
1,4,6,7-Tetrahydroquinazoline
CID 91013130
1,4,7,8-Tetrahydroquinazoline
CID 91106721
8,9-dihydro-1H-perimidine
CID 129044407
3-prop-2-enyl-8,8a-dihydro-4H-quinazolin-7-amine
CID 134239724
8-Methyl-1,4,7,8-tetrahydroquinazoline
CID 135245104
1,5-Dihydroquinazoline
CID 142336208
4-Methyl-3,8a-dihydroquinazoline
CID 142987055
(5Z,6E)-5-butylidene-6-ethylidene-1,4-dihydropyrimidine;ethane
CID 143195748
4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine
CID 143873069
2-methyl-N-[2-(5-methyl-6-methylidene-1H-pyrimidin-4-yl)prop-2-enyl]butan-1-amine
CID 144391865

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 7-methyl-4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine (CID 142485684) is 7-methyl-4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 7-methyl-4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 7-methyl-4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine is C=C1NC=NC2=C1CNC(C)C2.
What is the InChIKey of 7-methyl-4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine?
The InChIKey is HCRJZJORCLGCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6-3-9-8(4-10-6)7(2)11-5-12-9/h5-6,10H,2-4H2,1H3,(H,11,12).
What are the key properties of 7-methyl-4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine?
7-methyl-4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine has a molecular weight of 163.22 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 142485684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).