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

C20H24N6O2 — CID 5329131

IUPAC1-[2-amino-6-(3-ethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
SMILESCCOc1cccc(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C20H24N6O2/c1-5-28-14-8-6-7-12(9-14)15-10-13-11-22-18(21)24-16(13)23-17(15)25-19(27)26-20(2,3)4/h6-11H,5H2,1-4H3,(H4,21,22,23,24,25,26,27)
InChIKeyZKXALSMHQSOPKM-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.59
Rot. Bonds4

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

1-[2-amino-6-(3-ethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea (PubChem CID 5329131) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[2-amino-6-(3-ethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea.

Molecular Properties

Compound Name1-[2-amino-6-(3-ethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
PubChem CID5329131
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name1-[2-amino-6-(3-ethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
SMILESCCOc1cccc(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C20H24N6O2/c1-5-28-14-8-6-7-12(9-14)15-10-13-11-22-18(21)24-16(13)23-17(15)25-19(27)26-20(2,3)4/h6-11H,5H2,1-4H3,(H4,21,22,23,24,25,26,27)
InChIKeyZKXALSMHQSOPKM-UHFFFAOYSA-N
XLogP3.59
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(3-ethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
The IUPAC name of 1-[2-amino-6-(3-ethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea (CID 5329131) is 1-[2-amino-6-(3-ethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea.
What is the SMILES notation for 1-[2-amino-6-(3-ethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
The canonical SMILES for 1-[2-amino-6-(3-ethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea is CCOc1cccc(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c1.
What is the InChIKey of 1-[2-amino-6-(3-ethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
The InChIKey is ZKXALSMHQSOPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-5-28-14-8-6-7-12(9-14)15-10-13-11-22-18(21)24-16(13)23-17(15)25-19(27)26-20(2,3)4/h6-11H,5H2,1-4H3,(H4,21,22,23,24,25,26,27).
What are the key properties of 1-[2-amino-6-(3-ethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
1-[2-amino-6-(3-ethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea has a molecular weight of 380.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(3-ethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea is sourced from PubChem (CID 5329131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).