6-(1-cyclohexylazetidin-2-yl)-2-methylpyrimidin-4-amine

C14H22N4 — CID 110271708

IUPAC6-(1-cyclohexylazetidin-2-yl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(C2CCN2C2CCCCC2)n1
InChIInChI=1S/C14H22N4/c1-10-16-12(9-14(15)17-10)13-7-8-18(13)11-5-3-2-4-6-11/h9,11,13H,2-8H2,1H3,(H2,15,16,17)
InChIKeyFCRFAHAOBQUKQG-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.45
Rot. Bonds2

About 6-(1-cyclohexylazetidin-2-yl)-2-methylpyrimidin-4-amine

6-(1-cyclohexylazetidin-2-yl)-2-methylpyrimidin-4-amine (PubChem CID 110271708) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 6-(1-cyclohexylazetidin-2-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-cyclohexylazetidin-2-yl)-2-methylpyrimidin-4-amine
PubChem CID110271708
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name6-(1-cyclohexylazetidin-2-yl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(C2CCN2C2CCCCC2)n1
InChIInChI=1S/C14H22N4/c1-10-16-12(9-14(15)17-10)13-7-8-18(13)11-5-3-2-4-6-11/h9,11,13H,2-8H2,1H3,(H2,15,16,17)
InChIKeyFCRFAHAOBQUKQG-UHFFFAOYSA-N
XLogP2.45
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclohexylazetidin-2-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(1-cyclohexylazetidin-2-yl)-2-methylpyrimidin-4-amine (CID 110271708) is 6-(1-cyclohexylazetidin-2-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-cyclohexylazetidin-2-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(1-cyclohexylazetidin-2-yl)-2-methylpyrimidin-4-amine is Cc1nc(N)cc(C2CCN2C2CCCCC2)n1.
What is the InChIKey of 6-(1-cyclohexylazetidin-2-yl)-2-methylpyrimidin-4-amine?
The InChIKey is FCRFAHAOBQUKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10-16-12(9-14(15)17-10)13-7-8-18(13)11-5-3-2-4-6-11/h9,11,13H,2-8H2,1H3,(H2,15,16,17).
What are the key properties of 6-(1-cyclohexylazetidin-2-yl)-2-methylpyrimidin-4-amine?
6-(1-cyclohexylazetidin-2-yl)-2-methylpyrimidin-4-amine has a molecular weight of 246.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclohexylazetidin-2-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 110271708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).