1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea

C20H24N6O — CID 5328117

IUPAC1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
SMILESCc1cccc(C)c1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C
InChIInChI=1S/C20H24N6O/c1-11-7-6-8-12(2)15(11)14-9-13-10-22-18(21)24-16(13)23-17(14)25-19(27)26-20(3,4)5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27)
InChIKeyGQMZTFFTTCUZAW-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.81
Rot. Bonds2

About 1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea

1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea (PubChem CID 5328117) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea.

Molecular Properties

Compound Name1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
PubChem CID5328117
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
SMILESCc1cccc(C)c1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C
InChIInChI=1S/C20H24N6O/c1-11-7-6-8-12(2)15(11)14-9-13-10-22-18(21)24-16(13)23-17(14)25-19(27)26-20(3,4)5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27)
InChIKeyGQMZTFFTTCUZAW-UHFFFAOYSA-N
XLogP3.81
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
The IUPAC name of 1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea (CID 5328117) is 1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea.
What is the SMILES notation for 1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
The canonical SMILES for 1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea is Cc1cccc(C)c1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C.
What is the InChIKey of 1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
The InChIKey is GQMZTFFTTCUZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-11-7-6-8-12(2)15(11)14-9-13-10-22-18(21)24-16(13)23-17(14)25-19(27)26-20(3,4)5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27).
What are the key properties of 1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea has a molecular weight of 364.45 g/mol, XLogP of 3.81, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea is sourced from PubChem (CID 5328117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).