1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]propan-2-amine

C12H16N4 — CID 116892762

IUPAC1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]propan-2-amine
SMILESCc1cc(-c2cc[nH]c2)nc(CC(C)N)n1
InChIInChI=1S/C12H16N4/c1-8(13)5-12-15-9(2)6-11(16-12)10-3-4-14-7-10/h3-4,6-8,14H,5,13H2,1-2H3
InChIKeyHPEJGLLYWHZXND-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.67
Rot. Bonds3

About 1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]propan-2-amine

1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]propan-2-amine (PubChem CID 116892762) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]propan-2-amine
PubChem CID116892762
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]propan-2-amine
SMILESCc1cc(-c2cc[nH]c2)nc(CC(C)N)n1
InChIInChI=1S/C12H16N4/c1-8(13)5-12-15-9(2)6-11(16-12)10-3-4-14-7-10/h3-4,6-8,14H,5,13H2,1-2H3
InChIKeyHPEJGLLYWHZXND-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-6-(1H-pyrrol-3-yl)-2-(trifluoromethyl)pyrimidine
CID 116896762
4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine
CID 70659256
2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]butanenitrile
CID 116896534
N-methyl-2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine
CID 116896599
[1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol
CID 116896017
4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine
CID 116893049
2-methyl-3-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)propan-1-amine
CID 116893024
1-N-methyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]propane-1,2-diamine
CID 116973327
methyl 2-methyl-2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]propanoate
CID 116895272
1-(4,6-dimethoxy-5-methylpyrimidin-2-yl)propan-2-amine
CID 105465048
1-[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]propan-2-amine
CID 79088372
3-methyl-3-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965180

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]propan-2-amine?
The IUPAC name of 1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]propan-2-amine (CID 116892762) is 1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]propan-2-amine.
What is the SMILES notation for 1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]propan-2-amine?
The canonical SMILES for 1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]propan-2-amine is Cc1cc(-c2cc[nH]c2)nc(CC(C)N)n1.
What is the InChIKey of 1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]propan-2-amine?
The InChIKey is HPEJGLLYWHZXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8(13)5-12-15-9(2)6-11(16-12)10-3-4-14-7-10/h3-4,6-8,14H,5,13H2,1-2H3.
What are the key properties of 1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]propan-2-amine?
1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]propan-2-amine has a molecular weight of 216.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]propan-2-amine is sourced from PubChem (CID 116892762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).