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

C13H19N5O2 — CID 106418468

IUPAC4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCCc2noc(C)n2)n1
InChIInChI=1S/C13H19N5O2/c1-4-7-19-12-8-9(2)15-13(17-12)14-6-5-11-16-10(3)20-18-11/h8H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyAWEWPDRPECVPKC-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.92
Rot. Bonds7

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

4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine (PubChem CID 106418468) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
PubChem CID106418468
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCCc2noc(C)n2)n1
InChIInChI=1S/C13H19N5O2/c1-4-7-19-12-8-9(2)15-13(17-12)14-6-5-11-16-10(3)20-18-11/h8H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyAWEWPDRPECVPKC-UHFFFAOYSA-N
XLogP1.92
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115973398
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
2-N-ethyl-6-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 106424174
N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106177621
N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 115974987
4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
CID 106105448
4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
CID 106418608
4-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
1,1-dimethyl-2-(4-methyl-6-propoxypyrimidin-2-yl)hydrazine
CID 112638424

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine (CID 106418468) is 4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(NCCc2noc(C)n2)n1.
What is the InChIKey of 4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine?
The InChIKey is AWEWPDRPECVPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-4-7-19-12-8-9(2)15-13(17-12)14-6-5-11-16-10(3)20-18-11/h8H,4-7H2,1-3H3,(H,14,15,17).
What are the key properties of 4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine?
4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine has a molecular weight of 277.33 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 106418468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).