4-(pyrimidin-2-ylmethyl)cyclohexan-1-amine

C11H17N3 — CID 58432562

IUPAC4-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
SMILESNC1CCC(Cc2ncccn2)CC1
InChIInChI=1S/C11H17N3/c12-10-4-2-9(3-5-10)8-11-13-6-1-7-14-11/h1,6-7,9-10H,2-5,8,12H2
InChIKeyINWWSEKZMBIOLE-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.54
Rot. Bonds2

About 4-(pyrimidin-2-ylmethyl)cyclohexan-1-amine

4-(pyrimidin-2-ylmethyl)cyclohexan-1-amine (PubChem CID 58432562) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-(pyrimidin-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
PubChem CID58432562
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
SMILESNC1CCC(Cc2ncccn2)CC1
InChIInChI=1S/C11H17N3/c12-10-4-2-9(3-5-10)8-11-13-6-1-7-14-11/h1,6-7,9-10H,2-5,8,12H2
InChIKeyINWWSEKZMBIOLE-UHFFFAOYSA-N
XLogP1.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrimidin-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-(pyrimidin-2-ylmethyl)cyclohexan-1-amine (CID 58432562) is 4-(pyrimidin-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(pyrimidin-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(pyrimidin-2-ylmethyl)cyclohexan-1-amine is NC1CCC(Cc2ncccn2)CC1.
What is the InChIKey of 4-(pyrimidin-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is INWWSEKZMBIOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-10-4-2-9(3-5-10)8-11-13-6-1-7-14-11/h1,6-7,9-10H,2-5,8,12H2.
What are the key properties of 4-(pyrimidin-2-ylmethyl)cyclohexan-1-amine?
4-(pyrimidin-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrimidin-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 58432562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).