4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine

C15H23N5O — CID 80991919

IUPAC4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(NCc2c(C)noc2C)c1C
InChIInChI=1S/C15H23N5O/c1-6-13-18-14(16-7-2)9(3)15(19-13)17-8-12-10(4)20-21-11(12)5/h6-8H2,1-5H3,(H2,16,17,18,19)
InChIKeyRDGRMHWHXYSKPA-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.00
Rot. Bonds6

About 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine

4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80991919) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80991919
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(NCc2c(C)noc2C)c1C
InChIInChI=1S/C15H23N5O/c1-6-13-18-14(16-7-2)9(3)15(19-13)17-8-12-10(4)20-21-11(12)5/h6-8H2,1-5H3,(H2,16,17,18,19)
InChIKeyRDGRMHWHXYSKPA-UHFFFAOYSA-N
XLogP3.00
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 106378873
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
6-N,2-diethyl-5-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80980974
2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80835627
6-N,2-diethyl-5-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 106378700
6-N,2-diethyl-5-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80985830
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80976798
4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 79237881
6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine
CID 80991789
4-N-(cyclopropylmethyl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80982187

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine (CID 80991919) is 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine is CCNc1nc(CC)nc(NCc2c(C)noc2C)c1C.
What is the InChIKey of 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is RDGRMHWHXYSKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-6-13-18-14(16-7-2)9(3)15(19-13)17-8-12-10(4)20-21-11(12)5/h6-8H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine?
4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 289.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80991919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).