3-[2-(dimethylamino)ethyl]-1-phenyl-1-pyrimidin-5-ylurea

C15H19N5O — CID 68640111

IUPAC3-[2-(dimethylamino)ethyl]-1-phenyl-1-pyrimidin-5-ylurea
SMILESCN(C)CCNC(=O)N(c1ccccc1)c1cncnc1
InChIInChI=1S/C15H19N5O/c1-19(2)9-8-18-15(21)20(13-6-4-3-5-7-13)14-10-16-12-17-11-14/h3-7,10-12H,8-9H2,1-2H3,(H,18,21)
InChIKeyJLAGLCFDHKIOSH-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.89
Rot. Bonds5

About 3-[2-(dimethylamino)ethyl]-1-phenyl-1-pyrimidin-5-ylurea

3-[2-(dimethylamino)ethyl]-1-phenyl-1-pyrimidin-5-ylurea (PubChem CID 68640111) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1-phenyl-1-pyrimidin-5-ylurea.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1-phenyl-1-pyrimidin-5-ylurea
PubChem CID68640111
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-[2-(dimethylamino)ethyl]-1-phenyl-1-pyrimidin-5-ylurea
SMILESCN(C)CCNC(=O)N(c1ccccc1)c1cncnc1
InChIInChI=1S/C15H19N5O/c1-19(2)9-8-18-15(21)20(13-6-4-3-5-7-13)14-10-16-12-17-11-14/h3-7,10-12H,8-9H2,1-2H3,(H,18,21)
InChIKeyJLAGLCFDHKIOSH-UHFFFAOYSA-N
XLogP1.89
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(dimethylamino)propyl]-1,1-diphenylurea
CID 3525114
1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea
CID 68639358
N-[2-(dimethylamino)ethyl]-2-(N-methylanilino)acetamide
CID 108994641
N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide
CID 109016239
N-[2-(dimethylamino)ethyl]-3-phenylpyridine-4-carboxamide
CID 91804668
2-[2-[2-(dimethylamino)ethylcarbamoyl-methylamino]ethyl]benzoic acid
CID 104548567
N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109252763
5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
CID 109185536
5-N-[2-(dimethylamino)ethyl]-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109104046
2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid
CID 79464321
2-(N-benzylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994706
N-[2-(dimethylamino)ethyl]-1,2,4-triazine-6-carboxamide
CID 143921383

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1-phenyl-1-pyrimidin-5-ylurea?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1-phenyl-1-pyrimidin-5-ylurea (CID 68640111) is 3-[2-(dimethylamino)ethyl]-1-phenyl-1-pyrimidin-5-ylurea.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1-phenyl-1-pyrimidin-5-ylurea?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1-phenyl-1-pyrimidin-5-ylurea is CN(C)CCNC(=O)N(c1ccccc1)c1cncnc1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1-phenyl-1-pyrimidin-5-ylurea?
The InChIKey is JLAGLCFDHKIOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-19(2)9-8-18-15(21)20(13-6-4-3-5-7-13)14-10-16-12-17-11-14/h3-7,10-12H,8-9H2,1-2H3,(H,18,21).
What are the key properties of 3-[2-(dimethylamino)ethyl]-1-phenyl-1-pyrimidin-5-ylurea?
3-[2-(dimethylamino)ethyl]-1-phenyl-1-pyrimidin-5-ylurea has a molecular weight of 285.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1-phenyl-1-pyrimidin-5-ylurea is sourced from PubChem (CID 68640111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).