6-amino-5-(aminomethyl)-N-[1-[3-(2-tert-butyl-7H-purin-8-yl)-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide

C20H24N10O2 — CID 137223633

IUPAC6-amino-5-(aminomethyl)-N-[1-[3-(2-tert-butyl-7H-purin-8-yl)-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1ncnc(N)c1CN)c1cc(-c2nc3nc(C(C)(C)C)ncc3[nH]2)no1
InChIInChI=1S/C20H24N10O2/c1-9(26-18(31)14-10(6-21)15(22)25-8-24-14)13-5-11(30-32-13)16-27-12-7-23-19(20(2,3)4)29-17(12)28-16/h5,7-9H,6,21H2,1-4H3,(H,26,31)(H2,22,24,25)(H,23,27,28,29)
InChIKeyGZOVAEMRWOEFJS-UHFFFAOYSA-N
MW436.48 g/mol
LogP1.63
Rot. Bonds5

About 6-amino-5-(aminomethyl)-N-[1-[3-(2-tert-butyl-7H-purin-8-yl)-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide

6-amino-5-(aminomethyl)-N-[1-[3-(2-tert-butyl-7H-purin-8-yl)-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide (PubChem CID 137223633) has the molecular formula C20H24N10O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 6-amino-5-(aminomethyl)-N-[1-[3-(2-tert-butyl-7H-purin-8-yl)-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-amino-5-(aminomethyl)-N-[1-[3-(2-tert-butyl-7H-purin-8-yl)-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide
PubChem CID137223633
Molecular FormulaC20H24N10O2
Molecular Weight436.48 g/mol
Exact Mass436.21
IUPAC Name6-amino-5-(aminomethyl)-N-[1-[3-(2-tert-butyl-7H-purin-8-yl)-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1ncnc(N)c1CN)c1cc(-c2nc3nc(C(C)(C)C)ncc3[nH]2)no1
InChIInChI=1S/C20H24N10O2/c1-9(26-18(31)14-10(6-21)15(22)25-8-24-14)13-5-11(30-32-13)16-27-12-7-23-19(20(2,3)4)29-17(12)28-16/h5,7-9H,6,21H2,1-4H3,(H,26,31)(H2,22,24,25)(H,23,27,28,29)
InChIKeyGZOVAEMRWOEFJS-UHFFFAOYSA-N
XLogP1.63
TPSA187.41 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-amino-5-(aminomethyl)-N-[1-[3-(2-tert-butyl-7H-purin-8-yl)-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide 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 6-amino-5-(aminomethyl)-N-[1-[3-(2-tert-butyl-7H-purin-8-yl)-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-amino-5-(aminomethyl)-N-[1-[3-(2-tert-butyl-7H-purin-8-yl)-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide (CID 137223633) is 6-amino-5-(aminomethyl)-N-[1-[3-(2-tert-butyl-7H-purin-8-yl)-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-amino-5-(aminomethyl)-N-[1-[3-(2-tert-butyl-7H-purin-8-yl)-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-amino-5-(aminomethyl)-N-[1-[3-(2-tert-butyl-7H-purin-8-yl)-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide is CC(NC(=O)c1ncnc(N)c1CN)c1cc(-c2nc3nc(C(C)(C)C)ncc3[nH]2)no1.
What is the InChIKey of 6-amino-5-(aminomethyl)-N-[1-[3-(2-tert-butyl-7H-purin-8-yl)-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide?
The InChIKey is GZOVAEMRWOEFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N10O2/c1-9(26-18(31)14-10(6-21)15(22)25-8-24-14)13-5-11(30-32-13)16-27-12-7-23-19(20(2,3)4)29-17(12)28-16/h5,7-9H,6,21H2,1-4H3,(H,26,31)(H2,22,24,25)(H,23,27,28,29).
What are the key properties of 6-amino-5-(aminomethyl)-N-[1-[3-(2-tert-butyl-7H-purin-8-yl)-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide?
6-amino-5-(aminomethyl)-N-[1-[3-(2-tert-butyl-7H-purin-8-yl)-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 1.63, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(aminomethyl)-N-[1-[3-(2-tert-butyl-7H-purin-8-yl)-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 137223633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).