N-[(6-methylpyrimidin-4-yl)methyl]oxetan-3-amine

C9H13N3O — CID 131133796

IUPACN-[(6-methylpyrimidin-4-yl)methyl]oxetan-3-amine
SMILESCc1cc(CNC2COC2)ncn1
InChIInChI=1S/C9H13N3O/c1-7-2-8(12-6-11-7)3-10-9-4-13-5-9/h2,6,9-10H,3-5H2,1H3
InChIKeyXNRFADHGLPYZBI-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.27
Rot. Bonds3

About N-[(6-methylpyrimidin-4-yl)methyl]oxetan-3-amine

N-[(6-methylpyrimidin-4-yl)methyl]oxetan-3-amine (PubChem CID 131133796) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[(6-methylpyrimidin-4-yl)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(6-methylpyrimidin-4-yl)methyl]oxetan-3-amine
PubChem CID131133796
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-[(6-methylpyrimidin-4-yl)methyl]oxetan-3-amine
SMILESCc1cc(CNC2COC2)ncn1
InChIInChI=1S/C9H13N3O/c1-7-2-8(12-6-11-7)3-10-9-4-13-5-9/h2,6,9-10H,3-5H2,1H3
InChIKeyXNRFADHGLPYZBI-UHFFFAOYSA-N
XLogP0.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]oxetan-3-amine?
The IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]oxetan-3-amine (CID 131133796) is N-[(6-methylpyrimidin-4-yl)methyl]oxetan-3-amine.
What is the SMILES notation for N-[(6-methylpyrimidin-4-yl)methyl]oxetan-3-amine?
The canonical SMILES for N-[(6-methylpyrimidin-4-yl)methyl]oxetan-3-amine is Cc1cc(CNC2COC2)ncn1.
What is the InChIKey of N-[(6-methylpyrimidin-4-yl)methyl]oxetan-3-amine?
The InChIKey is XNRFADHGLPYZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-2-8(12-6-11-7)3-10-9-4-13-5-9/h2,6,9-10H,3-5H2,1H3.
What are the key properties of N-[(6-methylpyrimidin-4-yl)methyl]oxetan-3-amine?
N-[(6-methylpyrimidin-4-yl)methyl]oxetan-3-amine has a molecular weight of 179.22 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylpyrimidin-4-yl)methyl]oxetan-3-amine is sourced from PubChem (CID 131133796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).