4-N-[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine

C17H26N6 — CID 140546351

IUPAC4-N-[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESCc1nc(-c2ccnc(NC3CCC(N)CC3)n2)cn1C(C)C
InChIInChI=1S/C17H26N6/c1-11(2)23-10-16(20-12(23)3)15-8-9-19-17(22-15)21-14-6-4-13(18)5-7-14/h8-11,13-14H,4-7,18H2,1-3H3,(H,19,21,22)
InChIKeyBIMCLTQAKOCYPO-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.91
Rot. Bonds4

About 4-N-[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine

4-N-[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine (PubChem CID 140546351) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 4-N-[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
PubChem CID140546351
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name4-N-[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESCc1nc(-c2ccnc(NC3CCC(N)CC3)n2)cn1C(C)C
InChIInChI=1S/C17H26N6/c1-11(2)23-10-16(20-12(23)3)15-8-9-19-17(22-15)21-14-6-4-13(18)5-7-14/h8-11,13-14H,4-7,18H2,1-3H3,(H,19,21,22)
InChIKeyBIMCLTQAKOCYPO-UHFFFAOYSA-N
XLogP2.91
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 140546353
4-N-[4-[1-methyl-3-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 155376835
4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 68557934
N-cyclopropyl-4-(3-methylpyrazin-2-yl)pyrimidin-2-amine
CID 114080483
4-(1-aminoethyl)-N-cyclopropylpyrimidin-2-amine
CID 130595504
4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 18460887
N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 24866855
4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68556119
4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride
CID 71643877
trans-(1S,3S)-3-N-[4-(1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine
CID 171467414
4-N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine;hydrochloride
CID 166415972
1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-3-(cyclopropylmethyl)imidazolidin-4-one
CID 166302165

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine (CID 140546351) is 4-N-[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine is Cc1nc(-c2ccnc(NC3CCC(N)CC3)n2)cn1C(C)C.
What is the InChIKey of 4-N-[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
The InChIKey is BIMCLTQAKOCYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-11(2)23-10-16(20-12(23)3)15-8-9-19-17(22-15)21-14-6-4-13(18)5-7-14/h8-11,13-14H,4-7,18H2,1-3H3,(H,19,21,22).
What are the key properties of 4-N-[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
4-N-[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine has a molecular weight of 314.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 140546351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).