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

C8H11N3 — CID 143873069

IUPAC4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine
SMILESC=C1NC=NC2=C1CNCC2
InChIInChI=1S/C8H11N3/c1-6-7-4-9-3-2-8(7)11-5-10-6/h5,9H,1-4H2,(H,10,11)
InChIKeyDBHAKVPYZKKTHQ-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.38
Rot. Bonds

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

4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine (PubChem CID 143873069) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine
PubChem CID143873069
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine
SMILESC=C1NC=NC2=C1CNCC2
InChIInChI=1S/C8H11N3/c1-6-7-4-9-3-2-8(7)11-5-10-6/h5,9H,1-4H2,(H,10,11)
InChIKeyDBHAKVPYZKKTHQ-UHFFFAOYSA-N
XLogP0.38
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,5,6,7,8-Hexahydropyrido[4,3-d]pyrimidine
CID 68598121
1,6-Dihydropyrido[2,3-g]quinazoline
CID 88708143
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
1,7-Dihydroquinazoline
CID 142336195
1,7-Dihydroquinazoline;ethane
CID 142336209
7-methyl-4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine
CID 142485684
2-methyl-N-[2-(5-methyl-6-methylidene-1H-pyrimidin-4-yl)prop-2-enyl]butan-1-amine
CID 144391865
N-[2-(5-methyl-6-methylidene-1H-pyrimidin-4-yl)prop-2-enyl]pentan-1-amine
CID 144391909
1,4,6,7-Tetrahydropyrido[4,3-d]pyrimidine
CID 151634246
(4E)-4-(2,3-dimethylbut-2-enylidene)-5,6-dimethylidene-1H-pyrimidine
CID 169889275

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine (CID 143873069) is 4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine is C=C1NC=NC2=C1CNCC2.
What is the InChIKey of 4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine?
The InChIKey is DBHAKVPYZKKTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-6-7-4-9-3-2-8(7)11-5-10-6/h5,9H,1-4H2,(H,10,11).
What are the key properties of 4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine?
4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine has a molecular weight of 149.20 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 143873069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).