N-(cyclohexylmethyl)pyrimidin-2-amine

C11H17N3 — CID 43215336

IUPACN-(cyclohexylmethyl)pyrimidin-2-amine
SMILESc1cnc(NCC2CCCCC2)nc1
InChIInChI=1S/C11H17N3/c1-2-5-10(6-3-1)9-14-11-12-7-4-8-13-11/h4,7-8,10H,1-3,5-6,9H2,(H,12,13,14)
InChIKeyBQWIVWXWMPOSMD-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.47
Rot. Bonds3

About N-(cyclohexylmethyl)pyrimidin-2-amine

N-(cyclohexylmethyl)pyrimidin-2-amine (PubChem CID 43215336) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-(cyclohexylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)pyrimidin-2-amine
PubChem CID43215336
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-(cyclohexylmethyl)pyrimidin-2-amine
SMILESc1cnc(NCC2CCCCC2)nc1
InChIInChI=1S/C11H17N3/c1-2-5-10(6-3-1)9-14-11-12-7-4-8-13-11/h4,7-8,10H,1-3,5-6,9H2,(H,12,13,14)
InChIKeyBQWIVWXWMPOSMD-UHFFFAOYSA-N
XLogP2.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)pyrimidin-2-amine?
The IUPAC name of N-(cyclohexylmethyl)pyrimidin-2-amine (CID 43215336) is N-(cyclohexylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)pyrimidin-2-amine is c1cnc(NCC2CCCCC2)nc1.
What is the InChIKey of N-(cyclohexylmethyl)pyrimidin-2-amine?
The InChIKey is BQWIVWXWMPOSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-5-10(6-3-1)9-14-11-12-7-4-8-13-11/h4,7-8,10H,1-3,5-6,9H2,(H,12,13,14).
What are the key properties of N-(cyclohexylmethyl)pyrimidin-2-amine?
N-(cyclohexylmethyl)pyrimidin-2-amine has a molecular weight of 191.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 43215336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).