6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine

C13H19N5O — CID 81173364

IUPAC6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(NCc2ccon2)n1
InChIInChI=1S/C13H19N5O/c1-4-5-11-16-12(14-3)9(2)13(17-11)15-8-10-6-7-19-18-10/h6-7H,4-5,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyOCYJTKZJSQPKOR-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.38
Rot. Bonds6

About 6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine

6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 81173364) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
PubChem CID81173364
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(NCc2ccon2)n1
InChIInChI=1S/C13H19N5O/c1-4-5-11-16-12(14-3)9(2)13(17-11)15-8-10-6-7-19-18-10/h6-7H,4-5,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyOCYJTKZJSQPKOR-UHFFFAOYSA-N
XLogP2.38
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80985315
4-N-[(2-bromophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80986834
6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985045
6-N,5-dimethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 106378740
4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80980852
6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine
CID 106412418
3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol
CID 80981891
4-N-[2-(dimethylamino)propyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982651
6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 81173601
6-hydrazinyl-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2-propylpyrimidin-4-amine
CID 82874497
5-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80983242
4-N-(2,4-dimethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80977022

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine (CID 81173364) is 6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)c(C)c(NCc2ccon2)n1.
What is the InChIKey of 6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is OCYJTKZJSQPKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-5-11-16-12(14-3)9(2)13(17-11)15-8-10-6-7-19-18-10/h6-7H,4-5,8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 261.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 81173364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).