1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-propylurea

C17H16BrN5O2 — CID 155775426

IUPAC1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cccc(Oc2ncnc3ncc(Br)cc23)c1
InChIInChI=1S/C17H16BrN5O2/c1-2-6-19-17(24)23-12-4-3-5-13(8-12)25-16-14-7-11(18)9-20-15(14)21-10-22-16/h3-5,7-10H,2,6H2,1H3,(H2,19,23,24)
InChIKeyVTQJKJWOISUUFM-UHFFFAOYSA-N
MW402.25 g/mol
LogP4.11
Rot. Bonds5

About 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-propylurea

1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-propylurea (PubChem CID 155775426) has the molecular formula C17H16BrN5O2 and a molecular weight of 402.25 g/mol. Its IUPAC name is 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-propylurea.

Molecular Properties

Compound Name1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-propylurea
PubChem CID155775426
Molecular FormulaC17H16BrN5O2
Molecular Weight402.25 g/mol
Exact Mass401.05
IUPAC Name1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cccc(Oc2ncnc3ncc(Br)cc23)c1
InChIInChI=1S/C17H16BrN5O2/c1-2-6-19-17(24)23-12-4-3-5-13(8-12)25-16-14-7-11(18)9-20-15(14)21-10-22-16/h3-5,7-10H,2,6H2,1H3,(H2,19,23,24)
InChIKeyVTQJKJWOISUUFM-UHFFFAOYSA-N
XLogP4.11
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-(3-quinazolin-4-yloxyphenyl)carbamate
CID 31538412
1-[2-(3-bromophenoxy)ethyl]-3-propylurea
CID 47130861
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937
1-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542
1-[3-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 53005891
N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297990
2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide
CID 47202622
ethyl 3-(propylcarbamoylamino)benzoate
CID 19169955
1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea
CID 71575214
1-(2-phenoxy-3-pyridinyl)-3-propylurea
CID 47041336
1-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-3-[3-(7-ethoxy-6-methoxyquinazolin-4-yl)oxyphenyl]urea
CID 58267732
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-propylurea?
The IUPAC name of 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-propylurea (CID 155775426) is 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-propylurea.
What is the SMILES notation for 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-propylurea?
The canonical SMILES for 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-propylurea is CCCNC(=O)Nc1cccc(Oc2ncnc3ncc(Br)cc23)c1.
What is the InChIKey of 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-propylurea?
The InChIKey is VTQJKJWOISUUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O2/c1-2-6-19-17(24)23-12-4-3-5-13(8-12)25-16-14-7-11(18)9-20-15(14)21-10-22-16/h3-5,7-10H,2,6H2,1H3,(H2,19,23,24).
What are the key properties of 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-propylurea?
1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-propylurea has a molecular weight of 402.25 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxyphenyl]-3-propylurea is sourced from PubChem (CID 155775426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).