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

C12H18N6O — CID 50962547

IUPAC4-N-methyl-2-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1ccnc(NCCc2noc(C(C)C)n2)n1
InChIInChI=1S/C12H18N6O/c1-8(2)11-16-10(18-19-11)5-7-15-12-14-6-4-9(13-3)17-12/h4,6,8H,5,7H2,1-3H3,(H2,13,14,15,17)
InChIKeyPHEBCQIQFJEAPM-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.68
Rot. Bonds6

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

4-N-methyl-2-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 50962547) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-N-methyl-2-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID50962547
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-N-methyl-2-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1ccnc(NCCc2noc(C(C)C)n2)n1
InChIInChI=1S/C12H18N6O/c1-8(2)11-16-10(18-19-11)5-7-15-12-14-6-4-9(13-3)17-12/h4,6,8H,5,7H2,1-3H3,(H2,13,14,15,17)
InChIKeyPHEBCQIQFJEAPM-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine (CID 50962547) is 4-N-methyl-2-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine is CNc1ccnc(NCCc2noc(C(C)C)n2)n1.
What is the InChIKey of 4-N-methyl-2-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is PHEBCQIQFJEAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-8(2)11-16-10(18-19-11)5-7-15-12-14-6-4-9(13-3)17-12/h4,6,8H,5,7H2,1-3H3,(H2,13,14,15,17).
What are the key properties of 4-N-methyl-2-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine?
4-N-methyl-2-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 262.32 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 50962547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).