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

C12H15N5O — CID 112867831

IUPAC2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(Nc2cc(C)on2)nc(C)n1
InChIInChI=1S/C12H15N5O/c1-4-5-13-10-7-11(15-9(3)14-10)16-12-6-8(2)18-17-12/h4,6-7H,1,5H2,2-3H3,(H2,13,14,15,16,17)
InChIKeyFPOGYSGUBJJDRE-UHFFFAOYSA-N
MW245.29 g/mol
LogP2.42
Rot. Bonds5

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

2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,6-diamine (PubChem CID 112867831) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,6-diamine
PubChem CID112867831
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(Nc2cc(C)on2)nc(C)n1
InChIInChI=1S/C12H15N5O/c1-4-5-13-10-7-11(15-9(3)14-10)16-12-6-8(2)18-17-12/h4,6-7H,1,5H2,2-3H3,(H2,13,14,15,16,17)
InChIKeyFPOGYSGUBJJDRE-UHFFFAOYSA-N
XLogP2.42
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-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

Related Compounds

6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112908076
4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867710
2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871780
4-N-(4-bromo-2-methylphenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867800
6-N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112875874
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22540447
4-N-(3-fluorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867796
6-N-(4-chlorophenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878057
4-N-(2,3-dichlorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867819
2-methyl-6-N-prop-2-enyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112867774
4-N-(2,6-difluorophenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112879163
6-N-(4-bromo-2-methylphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878999

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,6-diamine (CID 112867831) is 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,6-diamine is C=CCNc1cc(Nc2cc(C)on2)nc(C)n1.
What is the InChIKey of 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,6-diamine?
The InChIKey is FPOGYSGUBJJDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-4-5-13-10-7-11(15-9(3)14-10)16-12-6-8(2)18-17-12/h4,6-7H,1,5H2,2-3H3,(H2,13,14,15,16,17).
What are the key properties of 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,6-diamine?
2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,6-diamine has a molecular weight of 245.29 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,6-diamine is sourced from PubChem (CID 112867831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).