6-(3-aminocyclobutyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine

C14H20N6O — CID 91794476

IUPAC6-(3-aminocyclobutyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
SMILESCC(C)c1nc(CNc2cc(C3CC(N)C3)ncn2)no1
InChIInChI=1S/C14H20N6O/c1-8(2)14-19-13(20-21-14)6-16-12-5-11(17-7-18-12)9-3-10(15)4-9/h5,7-10H,3-4,6,15H2,1-2H3,(H,16,17,18)
InChIKeyZHVMXEQLCHQBFC-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.80
Rot. Bonds5

About 6-(3-aminocyclobutyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine

6-(3-aminocyclobutyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 91794476) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID91794476
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name6-(3-aminocyclobutyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
SMILESCC(C)c1nc(CNc2cc(C3CC(N)C3)ncn2)no1
InChIInChI=1S/C14H20N6O/c1-8(2)14-19-13(20-21-14)6-16-12-5-11(17-7-18-12)9-3-10(15)4-9/h5,7-10H,3-4,6,15H2,1-2H3,(H,16,17,18)
InChIKeyZHVMXEQLCHQBFC-UHFFFAOYSA-N
XLogP1.80
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine (CID 91794476) is 6-(3-aminocyclobutyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine is CC(C)c1nc(CNc2cc(C3CC(N)C3)ncn2)no1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is ZHVMXEQLCHQBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-8(2)14-19-13(20-21-14)6-16-12-5-11(17-7-18-12)9-3-10(15)4-9/h5,7-10H,3-4,6,15H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(3-aminocyclobutyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 288.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 91794476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).