6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine

C12H17N5O — CID 80813482

IUPAC6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCc2cc(C)on2)c1C
InChIInChI=1S/C12H17N5O/c1-7-5-10(17-18-7)6-14-12-8(2)11(13-4)15-9(3)16-12/h5H,6H2,1-4H3,(H2,13,14,15,16)
InChIKeyIHYXLKRFPBZTSC-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.04
Rot. Bonds4

About 6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine

6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80813482) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80813482
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCc2cc(C)on2)c1C
InChIInChI=1S/C12H17N5O/c1-7-5-10(17-18-7)6-14-12-8(2)11(13-4)15-9(3)16-12/h5H,6H2,1-4H3,(H2,13,14,15,16)
InChIKeyIHYXLKRFPBZTSC-UHFFFAOYSA-N
XLogP2.04
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine (CID 80813482) is 6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine is CNc1nc(C)nc(NCc2cc(C)on2)c1C.
What is the InChIKey of 6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is IHYXLKRFPBZTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-7-5-10(17-18-7)6-14-12-8(2)11(13-4)15-9(3)16-12/h5H,6H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine?
6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 247.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80813482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).