N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine

C12H19N3 — CID 60962032

IUPACN-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
SMILESCc1nccc(CNC2CCCCC2)n1
InChIInChI=1S/C12H19N3/c1-10-13-8-7-12(15-10)9-14-11-5-3-2-4-6-11/h7-8,11,14H,2-6,9H2,1H3
InChIKeyCILARCBEPIEVMW-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.21
Rot. Bonds3

About N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine

N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine (PubChem CID 60962032) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
PubChem CID60962032
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
SMILESCc1nccc(CNC2CCCCC2)n1
InChIInChI=1S/C12H19N3/c1-10-13-8-7-12(15-10)9-14-11-5-3-2-4-6-11/h7-8,11,14H,2-6,9H2,1H3
InChIKeyCILARCBEPIEVMW-UHFFFAOYSA-N
XLogP2.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine
CID 65069995
2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 60962281
N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 62748227
9-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471994
2-(cyclopentylamino)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 54901558
4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 60961900
1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 60961240
trans-(1R,2R)-2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentan-1-ol
CID 93444311
N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine
CID 55114202
3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine
CID 61016617
1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 62747897
2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-carbonitrile
CID 62741149

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine (CID 60962032) is N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine is Cc1nccc(CNC2CCCCC2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine?
The InChIKey is CILARCBEPIEVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10-13-8-7-12(15-10)9-14-11-5-3-2-4-6-11/h7-8,11,14H,2-6,9H2,1H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine?
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine has a molecular weight of 205.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine is sourced from PubChem (CID 60962032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).