N-cyclopropyl-5-methoxy-6-methylpyrimidin-4-amine

C9H13N3O — CID 163974826

IUPACN-cyclopropyl-5-methoxy-6-methylpyrimidin-4-amine
SMILESCOc1c(C)ncnc1NC1CC1
InChIInChI=1S/C9H13N3O/c1-6-8(13-2)9(11-5-10-6)12-7-3-4-7/h5,7H,3-4H2,1-2H3,(H,10,11,12)
InChIKeySTEOUHBUJIXELY-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.37
Rot. Bonds3

About N-cyclopropyl-5-methoxy-6-methylpyrimidin-4-amine

N-cyclopropyl-5-methoxy-6-methylpyrimidin-4-amine (PubChem CID 163974826) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-cyclopropyl-5-methoxy-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-methoxy-6-methylpyrimidin-4-amine
PubChem CID163974826
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-cyclopropyl-5-methoxy-6-methylpyrimidin-4-amine
SMILESCOc1c(C)ncnc1NC1CC1
InChIInChI=1S/C9H13N3O/c1-6-8(13-2)9(11-5-10-6)12-7-3-4-7/h5,7H,3-4H2,1-2H3,(H,10,11,12)
InChIKeySTEOUHBUJIXELY-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methoxy-6-methylpyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-5-methoxy-6-methylpyrimidin-4-amine (CID 163974826) is N-cyclopropyl-5-methoxy-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-5-methoxy-6-methylpyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-5-methoxy-6-methylpyrimidin-4-amine is COc1c(C)ncnc1NC1CC1.
What is the InChIKey of N-cyclopropyl-5-methoxy-6-methylpyrimidin-4-amine?
The InChIKey is STEOUHBUJIXELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-8(13-2)9(11-5-10-6)12-7-3-4-7/h5,7H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of N-cyclopropyl-5-methoxy-6-methylpyrimidin-4-amine?
N-cyclopropyl-5-methoxy-6-methylpyrimidin-4-amine has a molecular weight of 179.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methoxy-6-methylpyrimidin-4-amine is sourced from PubChem (CID 163974826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).