N-(2-propan-2-ylcyclohexyl)pyrimidin-5-amine

C13H21N3 — CID 107587867

IUPACN-(2-propan-2-ylcyclohexyl)pyrimidin-5-amine
SMILESCC(C)C1CCCCC1Nc1cncnc1
InChIInChI=1S/C13H21N3/c1-10(2)12-5-3-4-6-13(12)16-11-7-14-9-15-8-11/h7-10,12-13,16H,3-6H2,1-2H3
InChIKeyRWIOJRHOCQCDAY-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.10
Rot. Bonds3

About N-(2-propan-2-ylcyclohexyl)pyrimidin-5-amine

N-(2-propan-2-ylcyclohexyl)pyrimidin-5-amine (PubChem CID 107587867) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(2-propan-2-ylcyclohexyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylcyclohexyl)pyrimidin-5-amine
PubChem CID107587867
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-(2-propan-2-ylcyclohexyl)pyrimidin-5-amine
SMILESCC(C)C1CCCCC1Nc1cncnc1
InChIInChI=1S/C13H21N3/c1-10(2)12-5-3-4-6-13(12)16-11-7-14-9-15-8-11/h7-10,12-13,16H,3-6H2,1-2H3
InChIKeyRWIOJRHOCQCDAY-UHFFFAOYSA-N
XLogP3.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylcyclohexyl)pyrimidin-5-amine?
The IUPAC name of N-(2-propan-2-ylcyclohexyl)pyrimidin-5-amine (CID 107587867) is N-(2-propan-2-ylcyclohexyl)pyrimidin-5-amine.
What is the SMILES notation for N-(2-propan-2-ylcyclohexyl)pyrimidin-5-amine?
The canonical SMILES for N-(2-propan-2-ylcyclohexyl)pyrimidin-5-amine is CC(C)C1CCCCC1Nc1cncnc1.
What is the InChIKey of N-(2-propan-2-ylcyclohexyl)pyrimidin-5-amine?
The InChIKey is RWIOJRHOCQCDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10(2)12-5-3-4-6-13(12)16-11-7-14-9-15-8-11/h7-10,12-13,16H,3-6H2,1-2H3.
What are the key properties of N-(2-propan-2-ylcyclohexyl)pyrimidin-5-amine?
N-(2-propan-2-ylcyclohexyl)pyrimidin-5-amine has a molecular weight of 219.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylcyclohexyl)pyrimidin-5-amine is sourced from PubChem (CID 107587867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).