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

C10H14N6O — CID 22540452

IUPAC4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
SMILESCc1cc(Nc2ncnc(N(C)C)c2N)no1
InChIInChI=1S/C10H14N6O/c1-6-4-7(15-17-6)14-9-8(11)10(16(2)3)13-5-12-9/h4-5H,11H2,1-3H3,(H,12,13,14,15)
InChIKeyQLSHLTBKKWBVEO-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.16
Rot. Bonds3

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

4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine (PubChem CID 22540452) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
PubChem CID22540452
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
SMILESCc1cc(Nc2ncnc(N(C)C)c2N)no1
InChIInChI=1S/C10H14N6O/c1-6-4-7(15-17-6)14-9-8(11)10(16(2)3)13-5-12-9/h4-5H,11H2,1-3H3,(H,12,13,14,15)
InChIKeyQLSHLTBKKWBVEO-UHFFFAOYSA-N
XLogP1.16
TPSA93.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22539468
6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540408
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539704
6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540535
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22540447
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22540502
4-N,4-N-dimethyl-6-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22542280
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 22540440
6-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540413
4-N,4-N-dimethyl-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19136946
6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
CID 22540634
6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
CID 22540628

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine (CID 22540452) is 4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine is Cc1cc(Nc2ncnc(N(C)C)c2N)no1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine?
The InChIKey is QLSHLTBKKWBVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-6-4-7(15-17-6)14-9-8(11)10(16(2)3)13-5-12-9/h4-5H,11H2,1-3H3,(H,12,13,14,15).
What are the key properties of 4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine?
4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine has a molecular weight of 234.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22540452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).