1-(3,5-difluorophenyl)-3-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea

C18H19F2N7O — CID 121074919

IUPAC1-(3,5-difluorophenyl)-3-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea
SMILESCc1nc(NCCNC(=O)Nc2cc(F)cc(F)c2)cc(-n2ccnc2C)n1
InChIInChI=1S/C18H19F2N7O/c1-11-24-16(10-17(25-11)27-6-5-21-12(27)2)22-3-4-23-18(28)26-15-8-13(19)7-14(20)9-15/h5-10H,3-4H2,1-2H3,(H,22,24,25)(H2,23,26,28)
InChIKeyQPOKWBFTVCMKGC-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.79
Rot. Bonds6

About 1-(3,5-difluorophenyl)-3-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea

1-(3,5-difluorophenyl)-3-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea (PubChem CID 121074919) has the molecular formula C18H19F2N7O and a molecular weight of 387.39 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea
PubChem CID121074919
Molecular FormulaC18H19F2N7O
Molecular Weight387.39 g/mol
Exact Mass387.16
IUPAC Name1-(3,5-difluorophenyl)-3-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea
SMILESCc1nc(NCCNC(=O)Nc2cc(F)cc(F)c2)cc(-n2ccnc2C)n1
InChIInChI=1S/C18H19F2N7O/c1-11-24-16(10-17(25-11)27-6-5-21-12(27)2)22-3-4-23-18(28)26-15-8-13(19)7-14(20)9-15/h5-10H,3-4H2,1-2H3,(H,22,24,25)(H2,23,26,28)
InChIKeyQPOKWBFTVCMKGC-UHFFFAOYSA-N
XLogP2.79
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 122291051
2-(4-fluorophenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 121074532
1-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-thiophen-2-ylurea
CID 122291292
3-fluoro-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 56699295
N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclobutanecarboxamide
CID 122291117
1-(3,5-dimethoxyphenyl)-3-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea
CID 121074223
N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2,2-diphenylacetamide
CID 121074531
N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-2-carboxamide
CID 122291040
2-(2-fluorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 122291093
1-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3,5-dimethylphenyl)urea
CID 56921180
3,4,5-trimethoxy-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 121074502
N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]naphthalene-2-carboxamide
CID 121074510

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea (CID 121074919) is 1-(3,5-difluorophenyl)-3-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea is Cc1nc(NCCNC(=O)Nc2cc(F)cc(F)c2)cc(-n2ccnc2C)n1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea?
The InChIKey is QPOKWBFTVCMKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7O/c1-11-24-16(10-17(25-11)27-6-5-21-12(27)2)22-3-4-23-18(28)26-15-8-13(19)7-14(20)9-15/h5-10H,3-4H2,1-2H3,(H,22,24,25)(H2,23,26,28).
What are the key properties of 1-(3,5-difluorophenyl)-3-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea?
1-(3,5-difluorophenyl)-3-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea has a molecular weight of 387.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea is sourced from PubChem (CID 121074919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).