2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine

C12H18N6O — CID 106424174

IUPAC2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NCCc2noc(C)n2)n1
InChIInChI=1S/C12H18N6O/c1-4-13-12-15-8(2)7-11(17-12)14-6-5-10-16-9(3)19-18-10/h7H,4-6H2,1-3H3,(H2,13,14,15,17)
InChIKeySHRVADFHOKPHIU-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.56
Rot. Bonds6

About 2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine

2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 106424174) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID106424174
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NCCc2noc(C)n2)n1
InChIInChI=1S/C12H18N6O/c1-4-13-12-15-8(2)7-11(17-12)14-6-5-10-16-9(3)19-18-10/h7H,4-6H2,1-3H3,(H2,13,14,15,17)
InChIKeySHRVADFHOKPHIU-UHFFFAOYSA-N
XLogP1.56
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-ethyl-2-(methoxymethyl)-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424198
4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
CID 106418468
4-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80777282
2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 80788066
2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828673
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80814270
2-N-ethyl-6-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 106106856
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
CID 80787003
4-methyl-2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106413974
6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424681
2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424697

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine (CID 106424174) is 2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine is CCNc1nc(C)cc(NCCc2noc(C)n2)n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is SHRVADFHOKPHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-13-12-15-8(2)7-11(17-12)14-6-5-10-16-9(3)19-18-10/h7H,4-6H2,1-3H3,(H2,13,14,15,17).
What are the key properties of 2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 262.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 106424174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).