4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C12H17N3 — CID 114742289

IUPAC4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCc1nc(C2CC2C)nc2c1CCNC2
InChIInChI=1S/C12H17N3/c1-7-5-10(7)12-14-8(2)9-3-4-13-6-11(9)15-12/h7,10,13H,3-6H2,1-2H3
InChIKeyJLJQAWBYTGOGNA-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.55
Rot. Bonds1

About 4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742289) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742289
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCc1nc(C2CC2C)nc2c1CCNC2
InChIInChI=1S/C12H17N3/c1-7-5-10(7)12-14-8(2)9-3-4-13-6-11(9)15-12/h7,10,13H,3-6H2,1-2H3
InChIKeyJLJQAWBYTGOGNA-UHFFFAOYSA-N
XLogP1.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742191
4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 112703747
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742288
ethyl 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738097
4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride
CID 71298613
4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 164647207
2-(4-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742252
2-(3,5-dichloro-2-pyridinyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742246
4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742125
2-(2-methoxypropyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742173
2-(3-bromophenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742183
2-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135741595

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742289) is 4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is Cc1nc(C2CC2C)nc2c1CCNC2.
What is the InChIKey of 4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is JLJQAWBYTGOGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-7-5-10(7)12-14-8(2)9-3-4-13-6-11(9)15-12/h7,10,13H,3-6H2,1-2H3.
What are the key properties of 4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 203.29 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).