1-[2-amino-6-(3,5-diethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea

C22H28N6O — CID 5329126

IUPAC1-[2-amino-6-(3,5-diethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
SMILESCCc1cc(CC)cc(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C22H28N6O/c1-6-13-8-14(7-2)10-15(9-13)17-11-16-12-24-20(23)26-18(16)25-19(17)27-21(29)28-22(3,4)5/h8-12H,6-7H2,1-5H3,(H4,23,24,25,26,27,28,29)
InChIKeyJLZJVFRHDHKOBW-UHFFFAOYSA-N
MW392.51 g/mol
LogP4.32
Rot. Bonds4

About 1-[2-amino-6-(3,5-diethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea

1-[2-amino-6-(3,5-diethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea (PubChem CID 5329126) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-[2-amino-6-(3,5-diethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea.

Molecular Properties

Compound Name1-[2-amino-6-(3,5-diethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
PubChem CID5329126
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name1-[2-amino-6-(3,5-diethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
SMILESCCc1cc(CC)cc(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C22H28N6O/c1-6-13-8-14(7-2)10-15(9-13)17-11-16-12-24-20(23)26-18(16)25-19(17)27-21(29)28-22(3,4)5/h8-12H,6-7H2,1-5H3,(H4,23,24,25,26,27,28,29)
InChIKeyJLZJVFRHDHKOBW-UHFFFAOYSA-N
XLogP4.32
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 54.32
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-(3,5-diethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
The IUPAC name of 1-[2-amino-6-(3,5-diethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea (CID 5329126) is 1-[2-amino-6-(3,5-diethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea.
What is the SMILES notation for 1-[2-amino-6-(3,5-diethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
The canonical SMILES for 1-[2-amino-6-(3,5-diethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea is CCc1cc(CC)cc(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c1.
What is the InChIKey of 1-[2-amino-6-(3,5-diethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
The InChIKey is JLZJVFRHDHKOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-6-13-8-14(7-2)10-15(9-13)17-11-16-12-24-20(23)26-18(16)25-19(17)27-21(29)28-22(3,4)5/h8-12H,6-7H2,1-5H3,(H4,23,24,25,26,27,28,29).
What are the key properties of 1-[2-amino-6-(3,5-diethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
1-[2-amino-6-(3,5-diethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea has a molecular weight of 392.51 g/mol, XLogP of 4.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(3,5-diethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea is sourced from PubChem (CID 5329126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).