2-(2-cyclopropylethyl)-4-methylpyrido[3,4-d]pyrimidine

C13H15N3 — CID 130256170

IUPAC2-(2-cyclopropylethyl)-4-methylpyrido[3,4-d]pyrimidine
SMILESCc1nc(CCC2CC2)nc2cnccc12
InChIInChI=1S/C13H15N3/c1-9-11-6-7-14-8-12(11)16-13(15-9)5-4-10-2-3-10/h6-8,10H,2-5H2,1H3
InChIKeyBOGZTBGVKNMOTB-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.68
Rot. Bonds3

About 2-(2-cyclopropylethyl)-4-methylpyrido[3,4-d]pyrimidine

2-(2-cyclopropylethyl)-4-methylpyrido[3,4-d]pyrimidine (PubChem CID 130256170) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(2-cyclopropylethyl)-4-methylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(2-cyclopropylethyl)-4-methylpyrido[3,4-d]pyrimidine
PubChem CID130256170
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-(2-cyclopropylethyl)-4-methylpyrido[3,4-d]pyrimidine
SMILESCc1nc(CCC2CC2)nc2cnccc12
InChIInChI=1S/C13H15N3/c1-9-11-6-7-14-8-12(11)16-13(15-9)5-4-10-2-3-10/h6-8,10H,2-5H2,1H3
InChIKeyBOGZTBGVKNMOTB-UHFFFAOYSA-N
XLogP2.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyclopropylethyl)pyridine
CID 54011262
3-(cyclopropylmethyl)-4-methylpyridine
CID 166091588
2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethanol
CID 153338552
2-cyclopropyl-4-iodopyrido[3,4-d]pyrimidine
CID 170363664
3-(cyclopropylmethyl)-4-methylpyridine;ethane
CID 166091587
2-(2-cyclopentylethyl)-3H-imidazo[4,5-c]pyridine
CID 63268959
4-methyl-2-(2-phenylpropoxy)pyrido[3,4-d]pyrimidine
CID 130256296
2-[4-[N-(cyclopropylmethyl)-4-methylanilino]phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953255
2-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]pyrimidine
CID 174329947
3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 114877328
2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
CID 163356963
4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 154882881

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethyl)-4-methylpyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(2-cyclopropylethyl)-4-methylpyrido[3,4-d]pyrimidine (CID 130256170) is 2-(2-cyclopropylethyl)-4-methylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(2-cyclopropylethyl)-4-methylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(2-cyclopropylethyl)-4-methylpyrido[3,4-d]pyrimidine is Cc1nc(CCC2CC2)nc2cnccc12.
What is the InChIKey of 2-(2-cyclopropylethyl)-4-methylpyrido[3,4-d]pyrimidine?
The InChIKey is BOGZTBGVKNMOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9-11-6-7-14-8-12(11)16-13(15-9)5-4-10-2-3-10/h6-8,10H,2-5H2,1H3.
What are the key properties of 2-(2-cyclopropylethyl)-4-methylpyrido[3,4-d]pyrimidine?
2-(2-cyclopropylethyl)-4-methylpyrido[3,4-d]pyrimidine has a molecular weight of 213.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethyl)-4-methylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 130256170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).