2-N-methyl-2-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)cyclohexane-1,2-diamine

C15H26N4 — CID 102639492

IUPAC2-N-methyl-2-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)cyclohexane-1,2-diamine
SMILESCc1cc(C(C)C)nc(N(C)C2CCCCC2N)n1
InChIInChI=1S/C15H26N4/c1-10(2)13-9-11(3)17-15(18-13)19(4)14-8-6-5-7-12(14)16/h9-10,12,14H,5-8,16H2,1-4H3
InChIKeyYYMNZQBVCWPDSR-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.61
Rot. Bonds3

About 2-N-methyl-2-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)cyclohexane-1,2-diamine

2-N-methyl-2-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)cyclohexane-1,2-diamine (PubChem CID 102639492) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-N-methyl-2-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)cyclohexane-1,2-diamine
PubChem CID102639492
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-N-methyl-2-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)cyclohexane-1,2-diamine
SMILESCc1cc(C(C)C)nc(N(C)C2CCCCC2N)n1
InChIInChI=1S/C15H26N4/c1-10(2)13-9-11(3)17-15(18-13)19(4)14-8-6-5-7-12(14)16/h9-10,12,14H,5-8,16H2,1-4H3
InChIKeyYYMNZQBVCWPDSR-UHFFFAOYSA-N
XLogP2.61
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine
CID 102639464
N-(2-bromocyclohexyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine
CID 102637651
2-[cyclobutyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol
CID 102868924
N-[2-(aminomethyl)cyclopentyl]-4-ethoxy-N,6-dimethylpyrimidin-2-amine
CID 112635004
2-N-methyl-2-N-(6-propan-2-yloxypyrimidin-4-yl)cyclohexane-1,2-diamine
CID 102639480
2-N-methyl-2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine
CID 115117930
2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117860
N-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106621007
2-N-methyl-2-N-(1-methylimidazol-2-yl)cyclohexane-1,2-diamine
CID 102639462
2-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)cyclohexane-1,2-diamine
CID 102639736
4-methyl-2-(piperidin-2-ylmethyl)-6-propan-2-ylpyrimidine
CID 116893518
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550128

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)cyclohexane-1,2-diamine (CID 102639492) is 2-N-methyl-2-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)cyclohexane-1,2-diamine is Cc1cc(C(C)C)nc(N(C)C2CCCCC2N)n1.
What is the InChIKey of 2-N-methyl-2-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)cyclohexane-1,2-diamine?
The InChIKey is YYMNZQBVCWPDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-10(2)13-9-11(3)17-15(18-13)19(4)14-8-6-5-7-12(14)16/h9-10,12,14H,5-8,16H2,1-4H3.
What are the key properties of 2-N-methyl-2-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)cyclohexane-1,2-diamine?
2-N-methyl-2-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)cyclohexane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 102639492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).