1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylurea

C15H18N4O2 — CID 71795200

IUPAC1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylurea
SMILESCc1ncn(CCNC(=O)Nc2ccccc2)c(=O)c1C
InChIInChI=1S/C15H18N4O2/c1-11-12(2)17-10-19(14(11)20)9-8-16-15(21)18-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H2,16,18,21)
InChIKeyZPXGUFDPNPNXBE-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.68
Rot. Bonds4

About 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylurea

1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylurea (PubChem CID 71795200) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylurea
PubChem CID71795200
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylurea
SMILESCc1ncn(CCNC(=O)Nc2ccccc2)c(=O)c1C
InChIInChI=1S/C15H18N4O2/c1-11-12(2)17-10-19(14(11)20)9-8-16-15(21)18-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H2,16,18,21)
InChIKeyZPXGUFDPNPNXBE-UHFFFAOYSA-N
XLogP1.68
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Methylanilino)-4-pyrimidinol
CID 824717
6-Amino-2-(4-phenyl-1-piperazinyl)-4-pyrimidinol
CID 135400065
2-{[4-(dimethylamino)phenyl]amino}-6-methyl-4(3H)-pyrimidinone
CID 135459603
5-Ethyl-2-[4-(2-fluoro-phenyl)-piperazin-1-yl]-6-methyl-3H-pyrimidin-4-one
CID 135477410
Cambridge id 5356508
CID 761462
3-(2-(Dimethylamino)ethyl)-5-(2-fluoro-4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
CID 24967884
3,5,6,7-Tetrahydro-2-(4-phenyl-1-piperazinyl)-4H-cyclopentapyrimidin-4-one
CID 135500938
Uracil, 5-(butylamino)-1,6-dimethyl-3-phenyl-
CID 208320
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
CID 135417602
(E)-2-cyano-N-ethyl-3-[4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
CID 1834567
6-methyl-5-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4(3H)-one
CID 135402502
2-anilino-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde oxime
CID 135449161

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylurea (CID 71795200) is 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylurea is Cc1ncn(CCNC(=O)Nc2ccccc2)c(=O)c1C.
What is the InChIKey of 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylurea?
The InChIKey is ZPXGUFDPNPNXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-12(2)17-10-19(14(11)20)9-8-16-15(21)18-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H2,16,18,21).
What are the key properties of 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylurea?
1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylurea has a molecular weight of 286.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 71795200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).