N-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine

C15H23N3O — CID 116902732

IUPACN-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine
SMILESCNCC1(c2nccc(C3CCOCC3)n2)CCC1
InChIInChI=1S/C15H23N3O/c1-16-11-15(6-2-7-15)14-17-8-3-13(18-14)12-4-9-19-10-5-12/h3,8,12,16H,2,4-7,9-11H2,1H3
InChIKeyLJCZURYDLVCREP-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.01
Rot. Bonds4

About N-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine

N-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine (PubChem CID 116902732) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine
PubChem CID116902732
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine
SMILESCNCC1(c2nccc(C3CCOCC3)n2)CCC1
InChIInChI=1S/C15H23N3O/c1-16-11-15(6-2-7-15)14-17-8-3-13(18-14)12-4-9-19-10-5-12/h3,8,12,16H,2,4-7,9-11H2,1H3
InChIKeyLJCZURYDLVCREP-UHFFFAOYSA-N
XLogP2.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine (CID 116902732) is N-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine is CNCC1(c2nccc(C3CCOCC3)n2)CCC1.
What is the InChIKey of N-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine?
The InChIKey is LJCZURYDLVCREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-11-15(6-2-7-15)14-17-8-3-13(18-14)12-4-9-19-10-5-12/h3,8,12,16H,2,4-7,9-11H2,1H3.
What are the key properties of N-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine?
N-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine has a molecular weight of 261.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine is sourced from PubChem (CID 116902732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).