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

C16H18N6O — CID 72885432

IUPAC6-propan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCC(C)c1cc(NCCc2nc(-c3ccccn3)no2)ncn1
InChIInChI=1S/C16H18N6O/c1-11(2)13-9-14(20-10-19-13)18-8-6-15-21-16(22-23-15)12-5-3-4-7-17-12/h3-5,7,9-11H,6,8H2,1-2H3,(H,18,19,20)
InChIKeyKYTCJMDHQJDLGG-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.70
Rot. Bonds6

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

6-propan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 72885432) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 6-propan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID72885432
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name6-propan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCC(C)c1cc(NCCc2nc(-c3ccccn3)no2)ncn1
InChIInChI=1S/C16H18N6O/c1-11(2)13-9-14(20-10-19-13)18-8-6-15-21-16(22-23-15)12-5-3-4-7-17-12/h3-5,7,9-11H,6,8H2,1-2H3,(H,18,19,20)
InChIKeyKYTCJMDHQJDLGG-UHFFFAOYSA-N
XLogP2.70
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-propan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 61240928
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345489
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 61239779
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine
CID 72933357
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74248691
(2R)-4-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119363928
N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 104696057
2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 70747193
2-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43096854
2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 91796955

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (CID 72885432) is 6-propan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is CC(C)c1cc(NCCc2nc(-c3ccccn3)no2)ncn1.
What is the InChIKey of 6-propan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is KYTCJMDHQJDLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-11(2)13-9-14(20-10-19-13)18-8-6-15-21-16(22-23-15)12-5-3-4-7-17-12/h3-5,7,9-11H,6,8H2,1-2H3,(H,18,19,20).
What are the key properties of 6-propan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
6-propan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 310.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 72885432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).