4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine

C11H18N4 — CID 63208372

IUPAC4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine
SMILESCc1cnc(NC2CCC(N)CC2)nc1
InChIInChI=1S/C11H18N4/c1-8-6-13-11(14-7-8)15-10-4-2-9(12)3-5-10/h6-7,9-10H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyUIDNQUGHBHCQFR-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.47
Rot. Bonds2

About 4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine

4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine (PubChem CID 63208372) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine
PubChem CID63208372
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine
SMILESCc1cnc(NC2CCC(N)CC2)nc1
InChIInChI=1S/C11H18N4/c1-8-6-13-11(14-7-8)15-10-4-2-9(12)3-5-10/h6-7,9-10H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyUIDNQUGHBHCQFR-UHFFFAOYSA-N
XLogP1.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride
CID 71643877
4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride
CID 86694119
4-N-(4,6-dimethylpyrimidin-2-yl)cyclohexane-1,4-diamine
CID 62319423
2-N-cyclopropylpyrimidine-2,5-diamine
CID 59381911
5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine
CID 171069962
ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 143709690
N-(1-ethylpiperidin-4-yl)-5-methylpyrimidin-2-amine
CID 63208182
3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 66030583
4-N-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 116974949
4-N-(4-aminocyclohexyl)-2-N,2-N,5-trimethylpyrimidine-2,4-diamine
CID 68976534
2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine
CID 54962936
4-[(4-aminocyclohexyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576316

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine (CID 63208372) is 4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine is Cc1cnc(NC2CCC(N)CC2)nc1.
What is the InChIKey of 4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine?
The InChIKey is UIDNQUGHBHCQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-6-13-11(14-7-8)15-10-4-2-9(12)3-5-10/h6-7,9-10H,2-5,12H2,1H3,(H,13,14,15).
What are the key properties of 4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine?
4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 63208372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).