1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine

C13H21N3 — CID 60961240

IUPAC1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
SMILESCc1nccc(CNCC2CCCCC2)n1
InChIInChI=1S/C13H21N3/c1-11-15-8-7-13(16-11)10-14-9-12-5-3-2-4-6-12/h7-8,12,14H,2-6,9-10H2,1H3
InChIKeyWMETWTNQKWHXHK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.45
Rot. Bonds4

About 1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine

1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine (PubChem CID 60961240) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
PubChem CID60961240
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
SMILESCc1nccc(CNCC2CCCCC2)n1
InChIInChI=1S/C13H21N3/c1-11-15-8-7-13(16-11)10-14-9-12-5-3-2-4-6-12/h7-8,12,14H,2-6,9-10H2,1H3
InChIKeyWMETWTNQKWHXHK-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 61016275
N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine
CID 106633706
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 61015871
1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 55109731
1-cyclopentyl-N-(pyrimidin-4-ylmethyl)methanamine
CID 62760594
tert-butyl 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 107242512
trans-(1R,2R)-2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentan-1-ol
CID 93444311
2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 60962281
2-(azepan-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62748782
2-(cyclopentylamino)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 54901558
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine (CID 60961240) is 1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine is Cc1nccc(CNCC2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
The InChIKey is WMETWTNQKWHXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11-15-8-7-13(16-11)10-14-9-12-5-3-2-4-6-12/h7-8,12,14H,2-6,9-10H2,1H3.
What are the key properties of 1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine is sourced from PubChem (CID 60961240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).