1-[4-[2-[(5,6-diethylpyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea

C23H27N5O — CID 91147673

IUPAC1-[4-[2-[(5,6-diethylpyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea
SMILESCCc1ncnc(NCCc2ccc(NC(=O)Nc3ccccc3)cc2)c1CC
InChIInChI=1S/C23H27N5O/c1-3-20-21(4-2)25-16-26-22(20)24-15-14-17-10-12-19(13-11-17)28-23(29)27-18-8-6-5-7-9-18/h5-13,16H,3-4,14-15H2,1-2H3,(H,24,25,26)(H2,27,28,29)
InChIKeyNSPVVZSIVATWSZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.90
Rot. Bonds8

About 1-[4-[2-[(5,6-diethylpyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea

1-[4-[2-[(5,6-diethylpyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea (PubChem CID 91147673) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[4-[2-[(5,6-diethylpyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[2-[(5,6-diethylpyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea
PubChem CID91147673
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name1-[4-[2-[(5,6-diethylpyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea
SMILESCCc1ncnc(NCCc2ccc(NC(=O)Nc3ccccc3)cc2)c1CC
InChIInChI=1S/C23H27N5O/c1-3-20-21(4-2)25-16-26-22(20)24-15-14-17-10-12-19(13-11-17)28-23(29)27-18-8-6-5-7-9-18/h5-13,16H,3-4,14-15H2,1-2H3,(H,24,25,26)(H2,27,28,29)
InChIKeyNSPVVZSIVATWSZ-UHFFFAOYSA-N
XLogP4.90
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-[[7-[2-(dimethylamino)ethoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea
CID 59268658
1-(3-fluorophenyl)-3-[4-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea
CID 59268672
1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea
CID 59268828
5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine
CID 143274500
1-[4-[2-[[2-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]ethyl]phenyl]-3-phenylurea
CID 59268799
4-[2-(4-butoxyphenyl)ethylamino]-6-ethylpyrimidine-5-carboxylate
CID 19392533
methyl 4-[2-(4-butoxyphenyl)ethylamino]-6-ethylpyrimidine-5-carboxylate
CID 22407589
1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-(4-methylcyclohexa-1,5-dien-1-yl)urea
CID 146792793
2-[4-[3-[6-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]piperazin-1-yl]ethyl dihydrogen phosphate
CID 59268622
N-[4-[2-[(6,7-difluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 99811987
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413
N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861123

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(5,6-diethylpyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[2-[(5,6-diethylpyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea (CID 91147673) is 1-[4-[2-[(5,6-diethylpyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[2-[(5,6-diethylpyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[2-[(5,6-diethylpyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea is CCc1ncnc(NCCc2ccc(NC(=O)Nc3ccccc3)cc2)c1CC.
What is the InChIKey of 1-[4-[2-[(5,6-diethylpyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea?
The InChIKey is NSPVVZSIVATWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-3-20-21(4-2)25-16-26-22(20)24-15-14-17-10-12-19(13-11-17)28-23(29)27-18-8-6-5-7-9-18/h5-13,16H,3-4,14-15H2,1-2H3,(H,24,25,26)(H2,27,28,29).
What are the key properties of 1-[4-[2-[(5,6-diethylpyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea?
1-[4-[2-[(5,6-diethylpyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea has a molecular weight of 389.50 g/mol, XLogP of 4.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(5,6-diethylpyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea is sourced from PubChem (CID 91147673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).