6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine

C13H20N6O — CID 106411949

IUPAC6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)C)nc(NCc2ncon2)c1C
InChIInChI=1S/C13H20N6O/c1-5-14-12-9(4)13(18-11(17-12)8(2)3)15-6-10-16-7-20-19-10/h7-8H,5-6H2,1-4H3,(H2,14,15,17,18)
InChIKeyRMPIBIUUMMMDOH-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.34
Rot. Bonds6

About 6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 106411949) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID106411949
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)C)nc(NCc2ncon2)c1C
InChIInChI=1S/C13H20N6O/c1-5-14-12-9(4)13(18-11(17-12)8(2)3)15-6-10-16-7-20-19-10/h7-8H,5-6H2,1-4H3,(H2,14,15,17,18)
InChIKeyRMPIBIUUMMMDOH-UHFFFAOYSA-N
XLogP2.34
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine with MolForge

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Related Compounds

2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 106411944
6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine
CID 106412418
3,5-dichloro-2-N-ethyl-6-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2,6-diamine
CID 114185511
6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984746
6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980535
6-N-ethyl-5-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984018
6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 82873932
6-N-ethyl-2-N,2-N-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 106411963
N-ethyl-6-methoxy-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989060
N-ethyl-5-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80990699
1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 80993004
2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106411915

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 106411949) is 6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1nc(C(C)C)nc(NCc2ncon2)c1C.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is RMPIBIUUMMMDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-5-14-12-9(4)13(18-11(17-12)8(2)3)15-6-10-16-7-20-19-10/h7-8H,5-6H2,1-4H3,(H2,14,15,17,18).
What are the key properties of 6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 276.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 106411949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).