(5-methyl-2-propylpyrimidin-4-yl)oxymethanamine

C9H15N3O — CID 70347585

IUPAC(5-methyl-2-propylpyrimidin-4-yl)oxymethanamine
SMILESCCCc1ncc(C)c(OCN)n1
InChIInChI=1S/C9H15N3O/c1-3-4-8-11-5-7(2)9(12-8)13-6-10/h5H,3-4,6,10H2,1-2H3
InChIKeyOGXFNJKJPYVTLB-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.03
Rot. Bonds4

About (5-methyl-2-propylpyrimidin-4-yl)oxymethanamine

(5-methyl-2-propylpyrimidin-4-yl)oxymethanamine (PubChem CID 70347585) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (5-methyl-2-propylpyrimidin-4-yl)oxymethanamine.

Molecular Properties

Compound Name(5-methyl-2-propylpyrimidin-4-yl)oxymethanamine
PubChem CID70347585
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(5-methyl-2-propylpyrimidin-4-yl)oxymethanamine
SMILESCCCc1ncc(C)c(OCN)n1
InChIInChI=1S/C9H15N3O/c1-3-4-8-11-5-7(2)9(12-8)13-6-10/h5H,3-4,6,10H2,1-2H3
InChIKeyOGXFNJKJPYVTLB-UHFFFAOYSA-N
XLogP1.03
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propylpyrimidin-4-yl)oxymethanamine?
The IUPAC name of (5-methyl-2-propylpyrimidin-4-yl)oxymethanamine (CID 70347585) is (5-methyl-2-propylpyrimidin-4-yl)oxymethanamine.
What is the SMILES notation for (5-methyl-2-propylpyrimidin-4-yl)oxymethanamine?
The canonical SMILES for (5-methyl-2-propylpyrimidin-4-yl)oxymethanamine is CCCc1ncc(C)c(OCN)n1.
What is the InChIKey of (5-methyl-2-propylpyrimidin-4-yl)oxymethanamine?
The InChIKey is OGXFNJKJPYVTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-4-8-11-5-7(2)9(12-8)13-6-10/h5H,3-4,6,10H2,1-2H3.
What are the key properties of (5-methyl-2-propylpyrimidin-4-yl)oxymethanamine?
(5-methyl-2-propylpyrimidin-4-yl)oxymethanamine has a molecular weight of 181.24 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propylpyrimidin-4-yl)oxymethanamine is sourced from PubChem (CID 70347585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).