1-cyclohexyl-N-(pyrimidin-2-ylmethyl)methanamine

C12H19N3 — CID 62698021

IUPAC1-cyclohexyl-N-(pyrimidin-2-ylmethyl)methanamine
SMILESc1cnc(CNCC2CCCCC2)nc1
InChIInChI=1S/C12H19N3/c1-2-5-11(6-3-1)9-13-10-12-14-7-4-8-15-12/h4,7-8,11,13H,1-3,5-6,9-10H2
InChIKeyZBUDRYBSLOZXDC-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.15
Rot. Bonds4

About 1-cyclohexyl-N-(pyrimidin-2-ylmethyl)methanamine

1-cyclohexyl-N-(pyrimidin-2-ylmethyl)methanamine (PubChem CID 62698021) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-cyclohexyl-N-(pyrimidin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(pyrimidin-2-ylmethyl)methanamine
PubChem CID62698021
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-cyclohexyl-N-(pyrimidin-2-ylmethyl)methanamine
SMILESc1cnc(CNCC2CCCCC2)nc1
InChIInChI=1S/C12H19N3/c1-2-5-11(6-3-1)9-13-10-12-14-7-4-8-15-12/h4,7-8,11,13H,1-3,5-6,9-10H2
InChIKeyZBUDRYBSLOZXDC-UHFFFAOYSA-N
XLogP2.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine
CID 63712207
N-(cyclopentylmethyl)pyrimidin-2-amine
CID 43317116
1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine
CID 43216158
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 60961240
1-cyclopentyl-N-(pyrimidin-4-ylmethyl)methanamine
CID 62760594
1-cyclobutyl-N-(quinolin-8-ylmethyl)methanamine
CID 43298300
2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol
CID 65123258
1-cyclohexyl-N-[(4-phenylphenyl)methyl]methanamine
CID 43215570
6-[(cyclopentylmethylamino)methyl]pyridin-3-ol
CID 79776493
1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 53271572

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(pyrimidin-2-ylmethyl)methanamine?
The IUPAC name of 1-cyclohexyl-N-(pyrimidin-2-ylmethyl)methanamine (CID 62698021) is 1-cyclohexyl-N-(pyrimidin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclohexyl-N-(pyrimidin-2-ylmethyl)methanamine?
The canonical SMILES for 1-cyclohexyl-N-(pyrimidin-2-ylmethyl)methanamine is c1cnc(CNCC2CCCCC2)nc1.
What is the InChIKey of 1-cyclohexyl-N-(pyrimidin-2-ylmethyl)methanamine?
The InChIKey is ZBUDRYBSLOZXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-5-11(6-3-1)9-13-10-12-14-7-4-8-15-12/h4,7-8,11,13H,1-3,5-6,9-10H2.
What are the key properties of 1-cyclohexyl-N-(pyrimidin-2-ylmethyl)methanamine?
1-cyclohexyl-N-(pyrimidin-2-ylmethyl)methanamine has a molecular weight of 205.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(pyrimidin-2-ylmethyl)methanamine is sourced from PubChem (CID 62698021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).