1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine

C12H19N3 — CID 62747376

IUPAC1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine
SMILESCNCc1ccnc(C2CCCCC2)n1
InChIInChI=1S/C12H19N3/c1-13-9-11-7-8-14-12(15-11)10-5-3-2-4-6-10/h7-8,10,13H,2-6,9H2,1H3
InChIKeyOXCCZXQRHNWUIM-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.24
Rot. Bonds3

About 1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine

1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine (PubChem CID 62747376) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine
PubChem CID62747376
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine
SMILESCNCc1ccnc(C2CCCCC2)n1
InChIInChI=1S/C12H19N3/c1-13-9-11-7-8-14-12(15-11)10-5-3-2-4-6-10/h7-8,10,13H,2-6,9H2,1H3
InChIKeyOXCCZXQRHNWUIM-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine (CID 62747376) is 1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine is CNCc1ccnc(C2CCCCC2)n1.
What is the InChIKey of 1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine?
The InChIKey is OXCCZXQRHNWUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-13-9-11-7-8-14-12(15-11)10-5-3-2-4-6-10/h7-8,10,13H,2-6,9H2,1H3.
What are the key properties of 1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine?
1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine has a molecular weight of 205.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 62747376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).