1-N-methyl-4-N-(5-propan-2-ylpyrimidin-2-yl)cyclohexane-1,4-diamine

C14H24N4 — CID 116974960

IUPAC1-N-methyl-4-N-(5-propan-2-ylpyrimidin-2-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ncc(C(C)C)cn2)CC1
InChIInChI=1S/C14H24N4/c1-10(2)11-8-16-14(17-9-11)18-13-6-4-12(15-3)5-7-13/h8-10,12-13,15H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyDMSGQIBYEPXHCT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.54
Rot. Bonds4

About 1-N-methyl-4-N-(5-propan-2-ylpyrimidin-2-yl)cyclohexane-1,4-diamine

1-N-methyl-4-N-(5-propan-2-ylpyrimidin-2-yl)cyclohexane-1,4-diamine (PubChem CID 116974960) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-N-methyl-4-N-(5-propan-2-ylpyrimidin-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-(5-propan-2-ylpyrimidin-2-yl)cyclohexane-1,4-diamine
PubChem CID116974960
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-N-methyl-4-N-(5-propan-2-ylpyrimidin-2-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ncc(C(C)C)cn2)CC1
InChIInChI=1S/C14H24N4/c1-10(2)11-8-16-14(17-9-11)18-13-6-4-12(15-3)5-7-13/h8-10,12-13,15H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyDMSGQIBYEPXHCT-UHFFFAOYSA-N
XLogP2.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(6-amino-3-pyridinyl)methyl]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine
CID 166889012
2-N-cyclopropylpyrimidine-2,5-diamine
CID 59381911
4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine
CID 63208372
2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109263206
(3aR,6aS)-2-[[4-[4-[(5-propan-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 178026071
2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine
CID 64740867
4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine
CID 155222929
N-(5-propan-2-ylpyrimidin-2-yl)acetamide
CID 58015222
2-N-cycloheptylpyrimidine-2,5-diamine
CID 61147383
N-(5-propan-2-ylpyrimidin-2-yl)formamide
CID 130210238
5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine
CID 63874176
N-methyl-N'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine
CID 116974441

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-(5-propan-2-ylpyrimidin-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-(5-propan-2-ylpyrimidin-2-yl)cyclohexane-1,4-diamine (CID 116974960) is 1-N-methyl-4-N-(5-propan-2-ylpyrimidin-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-(5-propan-2-ylpyrimidin-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-(5-propan-2-ylpyrimidin-2-yl)cyclohexane-1,4-diamine is CNC1CCC(Nc2ncc(C(C)C)cn2)CC1.
What is the InChIKey of 1-N-methyl-4-N-(5-propan-2-ylpyrimidin-2-yl)cyclohexane-1,4-diamine?
The InChIKey is DMSGQIBYEPXHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-10(2)11-8-16-14(17-9-11)18-13-6-4-12(15-3)5-7-13/h8-10,12-13,15H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of 1-N-methyl-4-N-(5-propan-2-ylpyrimidin-2-yl)cyclohexane-1,4-diamine?
1-N-methyl-4-N-(5-propan-2-ylpyrimidin-2-yl)cyclohexane-1,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-(5-propan-2-ylpyrimidin-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 116974960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).