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

C10H14N6O — CID 114185472

IUPAC2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1nccc(NCc2noc(C)n2)n1
InChIInChI=1S/C10H14N6O/c1-3-11-10-12-5-4-8(15-10)13-6-9-14-7(2)17-16-9/h4-5H,3,6H2,1-2H3,(H2,11,12,13,15)
InChIKeyDLNMPBLHNWUCMK-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.21
Rot. Bonds5

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

2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 114185472) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID114185472
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1nccc(NCc2noc(C)n2)n1
InChIInChI=1S/C10H14N6O/c1-3-11-10-12-5-4-8(15-10)13-6-9-14-7(2)17-16-9/h4-5H,3,6H2,1-2H3,(H2,11,12,13,15)
InChIKeyDLNMPBLHNWUCMK-UHFFFAOYSA-N
XLogP1.21
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-ethyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411661
2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine
CID 106411583
6-N-ethyl-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazine-2,6-diamine
CID 113243843
2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790438
2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411587
4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80766149
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine
CID 113243841
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide
CID 114183854
6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 103703166
4-methyl-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,3-diamine
CID 106393081
methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate
CID 106400515
4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
CID 106418608

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine (CID 114185472) is 2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine is CCNc1nccc(NCc2noc(C)n2)n1.
What is the InChIKey of 2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is DLNMPBLHNWUCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-3-11-10-12-5-4-8(15-10)13-6-9-14-7(2)17-16-9/h4-5H,3,6H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 234.26 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 114185472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).