5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine

C12H16N4 — CID 103341932

IUPAC5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2ccc[nH]2)n1
InChIInChI=1S/C12H16N4/c1-3-5-10-15-11(8(2)12(13)16-10)9-6-4-7-14-9/h4,6-7,14H,3,5H2,1-2H3,(H2,13,15,16)
InChIKeyQLEAIIPKGODNTR-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.31
Rot. Bonds3

About 5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine

5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine (PubChem CID 103341932) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
PubChem CID103341932
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2ccc[nH]2)n1
InChIInChI=1S/C12H16N4/c1-3-5-10-15-11(8(2)12(13)16-10)9-6-4-7-14-9/h4,6-7,14H,3,5H2,1-2H3,(H2,13,15,16)
InChIKeyQLEAIIPKGODNTR-UHFFFAOYSA-N
XLogP2.31
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80975052
6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80977843
5-methyl-2-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80978112
5,6-dimethyl-3-(1H-pyrrol-2-yl)pyrazin-2-amine
CID 103341831
5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine
CID 81227897
4,5-dimethyl-6-(1H-pyrrol-2-yl)pyridazin-3-amine
CID 103341793
6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 106882792
5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
CID 114734621
6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 106943797
5-methyl-2-propyl-6-pyrazin-2-ylpyrimidin-4-amine
CID 80977225
6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80976055
6-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 112744142

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine (CID 103341932) is 5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine is CCCc1nc(N)c(C)c(-c2ccc[nH]2)n1.
What is the InChIKey of 5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine?
The InChIKey is QLEAIIPKGODNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-5-10-15-11(8(2)12(13)16-10)9-6-4-7-14-9/h4,6-7,14H,3,5H2,1-2H3,(H2,13,15,16).
What are the key properties of 5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine?
5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine has a molecular weight of 216.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 103341932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).