2-(cyclohexylmethyl)-1,2,3,4-tetrahydropyrimidine

C11H20N2 — CID 70528752

IUPAC2-(cyclohexylmethyl)-1,2,3,4-tetrahydropyrimidine
SMILESC1=CNC(CC2CCCCC2)NC1
InChIInChI=1S/C11H20N2/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h4,7,10-13H,1-3,5-6,8-9H2
InChIKeyGQVDAGSZQYZFMU-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.99
Rot. Bonds2

About 2-(cyclohexylmethyl)-1,2,3,4-tetrahydropyrimidine

2-(cyclohexylmethyl)-1,2,3,4-tetrahydropyrimidine (PubChem CID 70528752) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-1,2,3,4-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-1,2,3,4-tetrahydropyrimidine
PubChem CID70528752
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name2-(cyclohexylmethyl)-1,2,3,4-tetrahydropyrimidine
SMILESC1=CNC(CC2CCCCC2)NC1
InChIInChI=1S/C11H20N2/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h4,7,10-13H,1-3,5-6,8-9H2
InChIKeyGQVDAGSZQYZFMU-UHFFFAOYSA-N
XLogP1.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-1,2,3,4-tetrahydropyrimidine?
The IUPAC name of 2-(cyclohexylmethyl)-1,2,3,4-tetrahydropyrimidine (CID 70528752) is 2-(cyclohexylmethyl)-1,2,3,4-tetrahydropyrimidine.
What is the SMILES notation for 2-(cyclohexylmethyl)-1,2,3,4-tetrahydropyrimidine?
The canonical SMILES for 2-(cyclohexylmethyl)-1,2,3,4-tetrahydropyrimidine is C1=CNC(CC2CCCCC2)NC1.
What is the InChIKey of 2-(cyclohexylmethyl)-1,2,3,4-tetrahydropyrimidine?
The InChIKey is GQVDAGSZQYZFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h4,7,10-13H,1-3,5-6,8-9H2.
What are the key properties of 2-(cyclohexylmethyl)-1,2,3,4-tetrahydropyrimidine?
2-(cyclohexylmethyl)-1,2,3,4-tetrahydropyrimidine has a molecular weight of 180.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-1,2,3,4-tetrahydropyrimidine is sourced from PubChem (CID 70528752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).