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

C9H12N6O2 — CID 106394063

IUPAC6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
SMILESCOc1ncnc(NCCc2ncon2)c1N
InChIInChI=1S/C9H12N6O2/c1-16-9-7(10)8(12-4-13-9)11-3-2-6-14-5-17-15-6/h4-5H,2-3,10H2,1H3,(H,11,12,13)
InChIKeySQQRVCHSROKXBO-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.10
Rot. Bonds5

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

6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine (PubChem CID 106394063) has the molecular formula C9H12N6O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
PubChem CID106394063
Molecular FormulaC9H12N6O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
SMILESCOc1ncnc(NCCc2ncon2)c1N
InChIInChI=1S/C9H12N6O2/c1-16-9-7(10)8(12-4-13-9)11-3-2-6-14-5-17-15-6/h4-5H,2-3,10H2,1H3,(H,11,12,13)
InChIKeySQQRVCHSROKXBO-UHFFFAOYSA-N
XLogP0.10
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 114183130
6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106405714
4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106394129
5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412553
6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 106412550
6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine
CID 113253638
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine
CID 114184557
5-nitro-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 106412327
6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine
CID 114615244
6-N-methyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106412168
4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine
CID 82455159
4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 106412556

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine (CID 106394063) is 6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine is COc1ncnc(NCCc2ncon2)c1N.
What is the InChIKey of 6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine?
The InChIKey is SQQRVCHSROKXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c1-16-9-7(10)8(12-4-13-9)11-3-2-6-14-5-17-15-6/h4-5H,2-3,10H2,1H3,(H,11,12,13).
What are the key properties of 6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine?
6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine has a molecular weight of 236.23 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 106394063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).