2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine

C14H20N6O — CID 80984101

IUPAC2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1nc(C2CC2)nc(NCc2nc(C)no2)c1C
InChIInChI=1S/C14H20N6O/c1-4-15-12-8(2)13(19-14(18-12)10-5-6-10)16-7-11-17-9(3)20-21-11/h10H,4-7H2,1-3H3,(H2,15,16,18,19)
InChIKeyZDWZEGQBHULBBS-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.40
Rot. Bonds6

About 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine

2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80984101) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80984101
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1nc(C2CC2)nc(NCc2nc(C)no2)c1C
InChIInChI=1S/C14H20N6O/c1-4-15-12-8(2)13(19-14(18-12)10-5-6-10)16-7-11-17-9(3)20-21-11/h10H,4-7H2,1-3H3,(H2,15,16,18,19)
InChIKeyZDWZEGQBHULBBS-UHFFFAOYSA-N
XLogP2.40
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-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

2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 80963831
6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 80953674
4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80983688
2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine
CID 80985625
2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985256
2-tert-butyl-6-hydrazinyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 81005936
2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80992622
2-cyclopropyl-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 106378820
6-chloro-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propylpyrimidin-4-amine
CID 80971966
3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80984218
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 80976188

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine (CID 80984101) is 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine is CCNc1nc(C2CC2)nc(NCc2nc(C)no2)c1C.
What is the InChIKey of 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is ZDWZEGQBHULBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-4-15-12-8(2)13(19-14(18-12)10-5-6-10)16-7-11-17-9(3)20-21-11/h10H,4-7H2,1-3H3,(H2,15,16,18,19).
What are the key properties of 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 288.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80984101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).