5-methyl-6-(1-methylimidazol-4-yl)-2-propan-2-ylpyrimidin-4-amine

C12H17N5 — CID 114272827

IUPAC5-methyl-6-(1-methylimidazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-c1cn(C)cn1
InChIInChI=1S/C12H17N5/c1-7(2)12-15-10(8(3)11(13)16-12)9-5-17(4)6-14-9/h5-7H,1-4H3,(H2,13,15,16)
InChIKeyYUFOOJWUJXFEOQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.89
Rot. Bonds2

About 5-methyl-6-(1-methylimidazol-4-yl)-2-propan-2-ylpyrimidin-4-amine

5-methyl-6-(1-methylimidazol-4-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 114272827) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-methyl-6-(1-methylimidazol-4-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(1-methylimidazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID114272827
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5-methyl-6-(1-methylimidazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-c1cn(C)cn1
InChIInChI=1S/C12H17N5/c1-7(2)12-15-10(8(3)11(13)16-12)9-5-17(4)6-14-9/h5-7H,1-4H3,(H2,13,15,16)
InChIKeyYUFOOJWUJXFEOQ-UHFFFAOYSA-N
XLogP1.89
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
CID 80976141
5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 80978774
6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80977211
6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80975741
4-methyl-5-(1-methylimidazol-4-yl)-1H-pyrazol-3-amine
CID 107972506
6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80974618
6-(5-chloro-1-benzofuran-2-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114734742
6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80977446
6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80974789
6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81346478
6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80977226
5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 80975371

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(1-methylimidazol-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(1-methylimidazol-4-yl)-2-propan-2-ylpyrimidin-4-amine (CID 114272827) is 5-methyl-6-(1-methylimidazol-4-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(1-methylimidazol-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(1-methylimidazol-4-yl)-2-propan-2-ylpyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1-c1cn(C)cn1.
What is the InChIKey of 5-methyl-6-(1-methylimidazol-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is YUFOOJWUJXFEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-7(2)12-15-10(8(3)11(13)16-12)9-5-17(4)6-14-9/h5-7H,1-4H3,(H2,13,15,16).
What are the key properties of 5-methyl-6-(1-methylimidazol-4-yl)-2-propan-2-ylpyrimidin-4-amine?
5-methyl-6-(1-methylimidazol-4-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(1-methylimidazol-4-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 114272827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).