5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C19H23N7O — CID 11530692

IUPAC5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1
InChIInChI=1S/C19H23N7O/c1-2-8-21-16-15(18-26-25-17(27-18)14-3-4-14)12-23-19(24-16)22-11-7-13-5-9-20-10-6-13/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H2,21,22,23,24)
InChIKeyVTLVGUTVIWZQMF-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.28
Rot. Bonds9

About 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 11530692) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID11530692
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1
InChIInChI=1S/C19H23N7O/c1-2-8-21-16-15(18-26-25-17(27-18)14-3-4-14)12-23-19(24-16)22-11-7-13-5-9-20-10-6-13/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H2,21,22,23,24)
InChIKeyVTLVGUTVIWZQMF-UHFFFAOYSA-N
XLogP3.28
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 11530692) is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1.
What is the InChIKey of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is VTLVGUTVIWZQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-2-8-21-16-15(18-26-25-17(27-18)14-3-4-14)12-23-19(24-16)22-11-7-13-5-9-20-10-6-13/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H2,21,22,23,24).
What are the key properties of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 365.44 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11530692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).