N-cyclohexyl-6-methyl-2-propan-2-ylpyrimidin-4-amine

C14H23N3 — CID 43395185

IUPACN-cyclohexyl-6-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NC2CCCCC2)nc(C(C)C)n1
InChIInChI=1S/C14H23N3/c1-10(2)14-15-11(3)9-13(17-14)16-12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyNFJXPUZPIJBYIL-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.65
Rot. Bonds3

About N-cyclohexyl-6-methyl-2-propan-2-ylpyrimidin-4-amine

N-cyclohexyl-6-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 43395185) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-cyclohexyl-6-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID43395185
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-cyclohexyl-6-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NC2CCCCC2)nc(C(C)C)n1
InChIInChI=1S/C14H23N3/c1-10(2)14-15-11(3)9-13(17-14)16-12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyNFJXPUZPIJBYIL-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-6-methyl-2-propan-2-ylpyrimidin-4-amine (CID 43395185) is N-cyclohexyl-6-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-6-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1cc(NC2CCCCC2)nc(C(C)C)n1.
What is the InChIKey of N-cyclohexyl-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is NFJXPUZPIJBYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-10(2)14-15-11(3)9-13(17-14)16-12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of N-cyclohexyl-6-methyl-2-propan-2-ylpyrimidin-4-amine?
N-cyclohexyl-6-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 233.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 43395185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).