N-methyl-2-(1,3-oxazol-2-yl)pyrimidin-5-amine

C8H8N4O — CID 171833343

IUPACN-methyl-2-(1,3-oxazol-2-yl)pyrimidin-5-amine
SMILESCNc1cnc(-c2ncco2)nc1
InChIInChI=1S/C8H8N4O/c1-9-6-4-11-7(12-5-6)8-10-2-3-13-8/h2-5,9H,1H3
InChIKeyPGZSLNXHKJWIBV-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.17
Rot. Bonds2

About N-methyl-2-(1,3-oxazol-2-yl)pyrimidin-5-amine

N-methyl-2-(1,3-oxazol-2-yl)pyrimidin-5-amine (PubChem CID 171833343) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is N-methyl-2-(1,3-oxazol-2-yl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-methyl-2-(1,3-oxazol-2-yl)pyrimidin-5-amine
PubChem CID171833343
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC NameN-methyl-2-(1,3-oxazol-2-yl)pyrimidin-5-amine
SMILESCNc1cnc(-c2ncco2)nc1
InChIInChI=1S/C8H8N4O/c1-9-6-4-11-7(12-5-6)8-10-2-3-13-8/h2-5,9H,1H3
InChIKeyPGZSLNXHKJWIBV-UHFFFAOYSA-N
XLogP1.17
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,3-oxazol-2-yl)pyrimidin-5-amine?
The IUPAC name of N-methyl-2-(1,3-oxazol-2-yl)pyrimidin-5-amine (CID 171833343) is N-methyl-2-(1,3-oxazol-2-yl)pyrimidin-5-amine.
What is the SMILES notation for N-methyl-2-(1,3-oxazol-2-yl)pyrimidin-5-amine?
The canonical SMILES for N-methyl-2-(1,3-oxazol-2-yl)pyrimidin-5-amine is CNc1cnc(-c2ncco2)nc1.
What is the InChIKey of N-methyl-2-(1,3-oxazol-2-yl)pyrimidin-5-amine?
The InChIKey is PGZSLNXHKJWIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-9-6-4-11-7(12-5-6)8-10-2-3-13-8/h2-5,9H,1H3.
What are the key properties of N-methyl-2-(1,3-oxazol-2-yl)pyrimidin-5-amine?
N-methyl-2-(1,3-oxazol-2-yl)pyrimidin-5-amine has a molecular weight of 176.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,3-oxazol-2-yl)pyrimidin-5-amine is sourced from PubChem (CID 171833343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).