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

C9H11N5O — CID 126470202

IUPAC6-N-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cc(C)on2)ncn1
InChIInChI=1S/C9H11N5O/c1-6-3-9(14-15-6)13-8-4-7(10-2)11-5-12-8/h3-5H,1-2H3,(H2,10,11,12,13,14)
InChIKeyLPOQRZGRHWUEEZ-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.56
Rot. Bonds3

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

6-N-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine (PubChem CID 126470202) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-N-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
PubChem CID126470202
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name6-N-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cc(C)on2)ncn1
InChIInChI=1S/C9H11N5O/c1-6-3-9(14-15-6)13-8-4-7(10-2)11-5-12-8/h3-5H,1-2H3,(H2,10,11,12,13,14)
InChIKeyLPOQRZGRHWUEEZ-UHFFFAOYSA-N
XLogP1.56
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine (CID 126470202) is 6-N-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine is CNc1cc(Nc2cc(C)on2)ncn1.
What is the InChIKey of 6-N-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The InChIKey is LPOQRZGRHWUEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-6-3-9(14-15-6)13-8-4-7(10-2)11-5-12-8/h3-5H,1-2H3,(H2,10,11,12,13,14).
What are the key properties of 6-N-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine has a molecular weight of 205.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 126470202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).