1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea

C15H18ClN5O — CID 125141657

IUPAC1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea
SMILESCN(C)C[C@H](NC(=O)Nc1ccncn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN5O/c1-21(2)9-13(11-3-5-12(16)6-4-11)19-15(22)20-14-7-8-17-10-18-14/h3-8,10,13H,9H2,1-2H3,(H2,17,18,19,20,22)/t13-/m0/s1
InChIKeyUDPZXXOBQYSWBH-ZDUSSCGKSA-N
MW319.80 g/mol
LogP2.55
Rot. Bonds5

About 1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea

1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea (PubChem CID 125141657) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea.

Molecular Properties

Compound Name1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea
PubChem CID125141657
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea
SMILESCN(C)C[C@H](NC(=O)Nc1ccncn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN5O/c1-21(2)9-13(11-3-5-12(16)6-4-11)19-15(22)20-14-7-8-17-10-18-14/h3-8,10,13H,9H2,1-2H3,(H2,17,18,19,20,22)/t13-/m0/s1
InChIKeyUDPZXXOBQYSWBH-ZDUSSCGKSA-N
XLogP2.55
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 100752449
N-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide
CID 166355447
1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 78881674
1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 100751884
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 24528764
1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(4-methoxypyrimidin-5-yl)urea
CID 129486430
1-[1-(4-chloro-3-fluorophenyl)ethyl]-3-[1-(4-chlorophenyl)-2-(dimethylamino)ethyl]urea
CID 167941647
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]urea
CID 124852743
1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide
CID 110464732
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 110278637
N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide
CID 124872786

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea?
The IUPAC name of 1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea (CID 125141657) is 1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea.
What is the SMILES notation for 1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea?
The canonical SMILES for 1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea is CN(C)C[C@H](NC(=O)Nc1ccncn1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea?
The InChIKey is UDPZXXOBQYSWBH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18ClN5O/c1-21(2)9-13(11-3-5-12(16)6-4-11)19-15(22)20-14-7-8-17-10-18-14/h3-8,10,13H,9H2,1-2H3,(H2,17,18,19,20,22)/t13-/m0/s1.
What are the key properties of 1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea?
1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea has a molecular weight of 319.80 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea is sourced from PubChem (CID 125141657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).