N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyridin-3-amine

C12H16N4 — CID 106555167

IUPACN-(4-methyl-1-propan-2-ylimidazol-2-yl)pyridin-3-amine
SMILESCc1cn(C(C)C)c(Nc2cccnc2)n1
InChIInChI=1S/C12H16N4/c1-9(2)16-8-10(3)14-12(16)15-11-5-4-6-13-7-11/h4-9H,1-3H3,(H,14,15)
InChIKeyPCZGFSMJMMUXEM-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.91
Rot. Bonds3

About N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyridin-3-amine

N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyridin-3-amine (PubChem CID 106555167) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(4-methyl-1-propan-2-ylimidazol-2-yl)pyridin-3-amine
PubChem CID106555167
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-(4-methyl-1-propan-2-ylimidazol-2-yl)pyridin-3-amine
SMILESCc1cn(C(C)C)c(Nc2cccnc2)n1
InChIInChI=1S/C12H16N4/c1-9(2)16-8-10(3)14-12(16)15-11-5-4-6-13-7-11/h4-9H,1-3H3,(H,14,15)
InChIKeyPCZGFSMJMMUXEM-UHFFFAOYSA-N
XLogP2.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyrimidin-5-amine
CID 107590715
1-(3,3-dimethylbutan-2-yl)-4-methyl-N-phenylimidazol-2-amine
CID 106580834
N-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106556313
N-(2-methoxyphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106555707
4-methyl-1-propan-2-yl-N-(2-propylphenyl)imidazol-2-amine
CID 106567383
4-methyl-1-propan-2-yl-N-(pyridin-4-ylmethyl)imidazol-2-amine
CID 106560368
1-(1-methoxypropan-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine
CID 106560455
N-(2,5-dibromophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106566391
5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 2725837
N-(1-methylpyrazol-4-yl)pyridin-3-amine
CID 82537519
4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine
CID 7589444
2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine
CID 155058890

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyridin-3-amine?
The IUPAC name of N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyridin-3-amine (CID 106555167) is N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyridin-3-amine.
What is the SMILES notation for N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyridin-3-amine?
The canonical SMILES for N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyridin-3-amine is Cc1cn(C(C)C)c(Nc2cccnc2)n1.
What is the InChIKey of N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyridin-3-amine?
The InChIKey is PCZGFSMJMMUXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9(2)16-8-10(3)14-12(16)15-11-5-4-6-13-7-11/h4-9H,1-3H3,(H,14,15).
What are the key properties of N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyridin-3-amine?
N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyridin-3-amine has a molecular weight of 216.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyridin-3-amine is sourced from PubChem (CID 106555167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).