1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide

C36H32N10O5 — CID 158018338

IUPAC1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3ccccc3)cc2)ncn1.Nc1cc(Oc2ccc(NC(=O)Nc3ccccc3)cc2)ncn1
InChIInChI=1S/C19H17N5O3.C17H15N5O2/c1-13(25)22-17-11-18(21-12-20-17)27-16-9-7-15(8-10-16)24-19(26)23-14-5-3-2-4-6-14;18-15-10-16(20-11-19-15)24-14-8-6-13(7-9-14)22-17(23)21-12-4-2-1-3-5-12/h2-12H,1H3,(H2,23,24,26)(H,20,21,22,25);1-11H,(H2,18,19,20)(H2,21,22,23)
InChIKeyFFTFTKHWFNLQJC-UHFFFAOYSA-N
MW684.72 g/mol
LogP7.37
Rot. Bonds9

About 1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide

1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide (PubChem CID 158018338) has the molecular formula C36H32N10O5 and a molecular weight of 684.72 g/mol. Its IUPAC name is 1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide
PubChem CID158018338
Molecular FormulaC36H32N10O5
Molecular Weight684.72 g/mol
Exact Mass684.26
IUPAC Name1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3ccccc3)cc2)ncn1.Nc1cc(Oc2ccc(NC(=O)Nc3ccccc3)cc2)ncn1
InChIInChI=1S/C19H17N5O3.C17H15N5O2/c1-13(25)22-17-11-18(21-12-20-17)27-16-9-7-15(8-10-16)24-19(26)23-14-5-3-2-4-6-14;18-15-10-16(20-11-19-15)24-14-8-6-13(7-9-14)22-17(23)21-12-4-2-1-3-5-12/h2-12H,1H3,(H2,23,24,26)(H,20,21,22,25);1-11H,(H2,18,19,20)(H2,21,22,23)
InChIKeyFFTFTKHWFNLQJC-UHFFFAOYSA-N
XLogP7.37
TPSA207.40 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500684.72
LogP ≤ 57.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-aminophenoxy)-N-phenylpyrimidin-4-amine;1-[4-(6-anilinopyrimidin-4-yl)oxyphenyl]-3-(3-methylsulfonylphenyl)urea
CID 158638793
1-[4-(6-chloropyrimidin-4-yl)oxyphenyl]-3-phenylurea;1-[4-[6-(3,5-difluoroanilino)pyrimidin-4-yl]oxyphenyl]-3-phenylurea
CID 162127603
1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309674
[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl] N-tert-butylcarbamate
CID 175061568
tert-butyl N-[3-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]phenyl]carbamate
CID 70843625
1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea
CID 22936793
N-[6-[4-[3-(3,4-dimethylphenyl)prop-1-en-2-ylamino]phenoxy]pyrimidin-4-yl]acetamide
CID 170194022
(2R)-N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 155201142
4-(4-aminophenoxy)pyrimidin-2-amine;1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea
CID 160708117
N-[6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-4-fluorophenoxy]pyrimidin-4-yl]acetamide
CID 123983166
(2S)-2-[[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]amino]propanamide
CID 155201127
N-[6-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118233975

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide?
The IUPAC name of 1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide (CID 158018338) is 1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide.
What is the SMILES notation for 1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide?
The canonical SMILES for 1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3ccccc3)cc2)ncn1.Nc1cc(Oc2ccc(NC(=O)Nc3ccccc3)cc2)ncn1.
What is the InChIKey of 1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide?
The InChIKey is FFTFTKHWFNLQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3.C17H15N5O2/c1-13(25)22-17-11-18(21-12-20-17)27-16-9-7-15(8-10-16)24-19(26)23-14-5-3-2-4-6-14;18-15-10-16(20-11-19-15)24-14-8-6-13(7-9-14)22-17(23)21-12-4-2-1-3-5-12/h2-12H,1H3,(H2,23,24,26)(H,20,21,22,25);1-11H,(H2,18,19,20)(H2,21,22,23).
What are the key properties of 1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide?
1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide has a molecular weight of 684.72 g/mol, XLogP of 7.37, 9 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 158018338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).