1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea

C13H18N6O — CID 141037413

IUPAC1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea
SMILESCc1cc(NC(=O)NC(C)(C)C)nc2nc(N)ncc12
InChIInChI=1S/C13H18N6O/c1-7-5-9(17-12(20)19-13(2,3)4)16-10-8(7)6-15-11(14)18-10/h5-6H,1-4H3,(H4,14,15,16,17,18,19,20)
InChIKeyPQANANVSJHAXPG-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.84
Rot. Bonds1

About 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea

1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea (PubChem CID 141037413) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea.

Molecular Properties

Compound Name1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea
PubChem CID141037413
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea
SMILESCc1cc(NC(=O)NC(C)(C)C)nc2nc(N)ncc12
InChIInChI=1S/C13H18N6O/c1-7-5-9(17-12(20)19-13(2,3)4)16-10-8(7)6-15-11(14)18-10/h5-6H,1-4H3,(H4,14,15,16,17,18,19,20)
InChIKeyPQANANVSJHAXPG-UHFFFAOYSA-N
XLogP1.84
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea 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 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea?
The IUPAC name of 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea (CID 141037413) is 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea.
What is the SMILES notation for 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea?
The canonical SMILES for 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea is Cc1cc(NC(=O)NC(C)(C)C)nc2nc(N)ncc12.
What is the InChIKey of 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea?
The InChIKey is PQANANVSJHAXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-7-5-9(17-12(20)19-13(2,3)4)16-10-8(7)6-15-11(14)18-10/h5-6H,1-4H3,(H4,14,15,16,17,18,19,20).
What are the key properties of 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea?
1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea has a molecular weight of 274.33 g/mol, XLogP of 1.84, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea is sourced from PubChem (CID 141037413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).