1-[1-(cyclohexylmethyl)-2H-pyrimidin-4-yl]-N-methylazetidin-3-amine

C15H26N4 — CID 141256082

IUPAC1-[1-(cyclohexylmethyl)-2H-pyrimidin-4-yl]-N-methylazetidin-3-amine
SMILESCNC1CN(C2=NCN(CC3CCCCC3)C=C2)C1
InChIInChI=1S/C15H26N4/c1-16-14-10-19(11-14)15-7-8-18(12-17-15)9-13-5-3-2-4-6-13/h7-8,13-14,16H,2-6,9-12H2,1H3
InChIKeyJPZYEZXAPDLANS-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.66
Rot. Bonds3

About 1-[1-(cyclohexylmethyl)-2H-pyrimidin-4-yl]-N-methylazetidin-3-amine

1-[1-(cyclohexylmethyl)-2H-pyrimidin-4-yl]-N-methylazetidin-3-amine (PubChem CID 141256082) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)-2H-pyrimidin-4-yl]-N-methylazetidin-3-amine.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)-2H-pyrimidin-4-yl]-N-methylazetidin-3-amine
PubChem CID141256082
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-[1-(cyclohexylmethyl)-2H-pyrimidin-4-yl]-N-methylazetidin-3-amine
SMILESCNC1CN(C2=NCN(CC3CCCCC3)C=C2)C1
InChIInChI=1S/C15H26N4/c1-16-14-10-19(11-14)15-7-8-18(12-17-15)9-13-5-3-2-4-6-13/h7-8,13-14,16H,2-6,9-12H2,1H3
InChIKeyJPZYEZXAPDLANS-UHFFFAOYSA-N
XLogP1.66
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethyl)-2H-pyrimidin-4-yl]-N-methylazetidin-3-amine?
The IUPAC name of 1-[1-(cyclohexylmethyl)-2H-pyrimidin-4-yl]-N-methylazetidin-3-amine (CID 141256082) is 1-[1-(cyclohexylmethyl)-2H-pyrimidin-4-yl]-N-methylazetidin-3-amine.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)-2H-pyrimidin-4-yl]-N-methylazetidin-3-amine?
The canonical SMILES for 1-[1-(cyclohexylmethyl)-2H-pyrimidin-4-yl]-N-methylazetidin-3-amine is CNC1CN(C2=NCN(CC3CCCCC3)C=C2)C1.
What is the InChIKey of 1-[1-(cyclohexylmethyl)-2H-pyrimidin-4-yl]-N-methylazetidin-3-amine?
The InChIKey is JPZYEZXAPDLANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-16-14-10-19(11-14)15-7-8-18(12-17-15)9-13-5-3-2-4-6-13/h7-8,13-14,16H,2-6,9-12H2,1H3.
What are the key properties of 1-[1-(cyclohexylmethyl)-2H-pyrimidin-4-yl]-N-methylazetidin-3-amine?
1-[1-(cyclohexylmethyl)-2H-pyrimidin-4-yl]-N-methylazetidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethyl)-2H-pyrimidin-4-yl]-N-methylazetidin-3-amine is sourced from PubChem (CID 141256082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).