6-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclobutyl]-4-N-methylpyrimidine-2,4-diamine

C14H19N7O — CID 91769546

IUPAC6-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclobutyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(C2CC(Nc3noc(C4CC4)n3)C2)nc(N)n1
InChIInChI=1S/C14H19N7O/c1-16-11-6-10(18-13(15)19-11)8-4-9(5-8)17-14-20-12(22-21-14)7-2-3-7/h6-9H,2-5H2,1H3,(H,17,21)(H3,15,16,18,19)
InChIKeyYDIKWSJKAMBYIC-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.72
Rot. Bonds5

About 6-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclobutyl]-4-N-methylpyrimidine-2,4-diamine

6-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclobutyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 91769546) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclobutyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclobutyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID91769546
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name6-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclobutyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(C2CC(Nc3noc(C4CC4)n3)C2)nc(N)n1
InChIInChI=1S/C14H19N7O/c1-16-11-6-10(18-13(15)19-11)8-4-9(5-8)17-14-20-12(22-21-14)7-2-3-7/h6-9H,2-5H2,1H3,(H,17,21)(H3,15,16,18,19)
InChIKeyYDIKWSJKAMBYIC-UHFFFAOYSA-N
XLogP1.72
TPSA114.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclobutyl]-4-N-methylpyrimidine-2,4-diamine 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-(cis-3-aminocyclobutyl)-N-{[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl}-4-pyrimidinamine dihydrochloride
CID 91788150
1-({1-[6-(trans-3-Aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl}methyl)pyrrolidin-2-one
CID 91765692
4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-methylpyrimidine-2,4-diamine
CID 72854349
(1R*,2S*)-2-[(2-amino-6-isopropylpyrimidin-4-yl)amino]cyclopentanecarboxamide
CID 72895847
N~3~-[2-amino-6-(trans-3-aminocyclobutyl)pyrimidin-4-yl]-N~1~,N~3~-dimethyl-beta-alaninamide
CID 91766904
4-{[6-(cis-3-aminocyclobutyl)pyrimidin-4-yl]amino}-N,N-dimethylbutanamide
CID 91769461
6-(trans-3-aminocyclobutyl)-2-cyclopropyl-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-pyrimidinamine dihydrochloride
CID 91785646
(3S)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide
CID 95550075
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine
CID 97187990
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-(6-cyclopropyl-2-methylpyrimidin-4-yl)propanamide
CID 127614069
6-(3-aminocyclobutyl)-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154902808
1-(6-cyclobutylpyrimidin-4-yl)-N-cyclopropyl-3-fluoropyrrolidine-3-carboxamide
CID 177802491

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclobutyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclobutyl]-4-N-methylpyrimidine-2,4-diamine (CID 91769546) is 6-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclobutyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclobutyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclobutyl]-4-N-methylpyrimidine-2,4-diamine is CNc1cc(C2CC(Nc3noc(C4CC4)n3)C2)nc(N)n1.
What is the InChIKey of 6-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclobutyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is YDIKWSJKAMBYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O/c1-16-11-6-10(18-13(15)19-11)8-4-9(5-8)17-14-20-12(22-21-14)7-2-3-7/h6-9H,2-5H2,1H3,(H,17,21)(H3,15,16,18,19).
What are the key properties of 6-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclobutyl]-4-N-methylpyrimidine-2,4-diamine?
6-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclobutyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 301.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclobutyl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 91769546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).