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

C11H15N5O — CID 113243842

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(CNc2cc(C(C)C)ncn2)no1
InChIInChI=1S/C11H15N5O/c1-7(2)9-4-10(14-6-13-9)12-5-11-15-8(3)17-16-11/h4,6-7H,5H2,1-3H3,(H,12,13,14)
InChIKeyGMOVRODAQNNPIY-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.90
Rot. Bonds4

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 113243842) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID113243842
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(CNc2cc(C(C)C)ncn2)no1
InChIInChI=1S/C11H15N5O/c1-7(2)9-4-10(14-6-13-9)12-5-11-15-8(3)17-16-11/h4,6-7H,5H2,1-3H3,(H,12,13,14)
InChIKeyGMOVRODAQNNPIY-UHFFFAOYSA-N
XLogP1.90
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpyrimidin-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-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 103703166
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 114185482
6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424681
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 58337037
N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 55204242
N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61240171
N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 62368631
N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 78954788
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carbothioamide
CID 114183854
N-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 64531496
2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine
CID 106411583
6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
CID 62142623

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine (CID 113243842) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine is Cc1nc(CNc2cc(C(C)C)ncn2)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is GMOVRODAQNNPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7(2)9-4-10(14-6-13-9)12-5-11-15-8(3)17-16-11/h4,6-7H,5H2,1-3H3,(H,12,13,14).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 233.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 113243842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).