(3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine

C13H21N3 — CID 64740038

IUPAC(3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine
SMILESCC1CCC(C(N)c2ncccn2)CC1C
InChIInChI=1S/C13H21N3/c1-9-4-5-11(8-10(9)2)12(14)13-15-6-3-7-16-13/h3,6-7,9-12H,4-5,8,14H2,1-2H3
InChIKeyJWRSPXKGNNATKQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.55
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine

(3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine (PubChem CID 64740038) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine
PubChem CID64740038
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine
SMILESCC1CCC(C(N)c2ncccn2)CC1C
InChIInChI=1S/C13H21N3/c1-9-4-5-11(8-10(9)2)12(14)13-15-6-3-7-16-13/h3,6-7,9-12H,4-5,8,14H2,1-2H3
InChIKeyJWRSPXKGNNATKQ-UHFFFAOYSA-N
XLogP2.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine?
The IUPAC name of (3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine (CID 64740038) is (3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine?
The canonical SMILES for (3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine is CC1CCC(C(N)c2ncccn2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine?
The InChIKey is JWRSPXKGNNATKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-4-5-11(8-10(9)2)12(14)13-15-6-3-7-16-13/h3,6-7,9-12H,4-5,8,14H2,1-2H3.
What are the key properties of (3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine?
(3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine is sourced from PubChem (CID 64740038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).