2-methyl-4-(2-methylpiperidin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine

C19H22N4 — CID 10807285

IUPAC2-methyl-4-(2-methylpiperidin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2C)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C19H22N4/c1-13-8-6-7-11-23(13)19-18-17(20-14(2)21-19)12-16(22-18)15-9-4-3-5-10-15/h3-5,9-10,12-13,22H,6-8,11H2,1-2H3
InChIKeyKOLSRODIBHTCHE-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.31
Rot. Bonds2

About 2-methyl-4-(2-methylpiperidin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine

2-methyl-4-(2-methylpiperidin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10807285) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpiperidin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(2-methylpiperidin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10807285
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-methyl-4-(2-methylpiperidin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2C)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C19H22N4/c1-13-8-6-7-11-23(13)19-18-17(20-14(2)21-19)12-16(22-18)15-9-4-3-5-10-15/h3-5,9-10,12-13,22H,6-8,11H2,1-2H3
InChIKeyKOLSRODIBHTCHE-UHFFFAOYSA-N
XLogP4.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
CID 11792634
6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 10685135
6-(3,4-dimethylphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride
CID 162331783
6-(3,5-difluorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 11793187
6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline
CID 16616241
2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline
CID 42149937
6-(furan-2-yl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10519637
2-methyl-4-(2-methylpiperidin-1-yl)-1H-imidazol-5-amine
CID 82234676
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride
CID 160836227
2'-methyl-4'-(2-methylpiperidin-1-yl)spiro[1,2-dihydroindene-3,8'-6,7-dihydro-5H-quinazoline]
CID 11210206
6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)-5H-pyrrolo[3,2-d]pyrimidine;hydrate;hydrochloride
CID 18511378
2-methyl-6-(2-phenylethyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrate;hydrochloride
CID 18511203

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpiperidin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-4-(2-methylpiperidin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine (CID 10807285) is 2-methyl-4-(2-methylpiperidin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-(2-methylpiperidin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-4-(2-methylpiperidin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(N2CCCCC2C)c2[nH]c(-c3ccccc3)cc2n1.
What is the InChIKey of 2-methyl-4-(2-methylpiperidin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is KOLSRODIBHTCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-13-8-6-7-11-23(13)19-18-17(20-14(2)21-19)12-16(22-18)15-9-4-3-5-10-15/h3-5,9-10,12-13,22H,6-8,11H2,1-2H3.
What are the key properties of 2-methyl-4-(2-methylpiperidin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
2-methyl-4-(2-methylpiperidin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 306.41 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpiperidin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10807285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).