1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea

C17H22N4O3 — CID 111474644

IUPAC1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
SMILESCc1cc(C(C)(O)CNC(=O)Nc2cnc(C3CC3)nc2)c(C)o1
InChIInChI=1S/C17H22N4O3/c1-10-6-14(11(2)24-10)17(3,23)9-20-16(22)21-13-7-18-15(19-8-13)12-4-5-12/h6-8,12,23H,4-5,9H2,1-3H3,(H2,20,21,22)
InChIKeyGBMHNNCQEDXDMC-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.59
Rot. Bonds5

About 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea

1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea (PubChem CID 111474644) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
PubChem CID111474644
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
SMILESCc1cc(C(C)(O)CNC(=O)Nc2cnc(C3CC3)nc2)c(C)o1
InChIInChI=1S/C17H22N4O3/c1-10-6-14(11(2)24-10)17(3,23)9-20-16(22)21-13-7-18-15(19-8-13)12-4-5-12/h6-8,12,23H,4-5,9H2,1-3H3,(H2,20,21,22)
InChIKeyGBMHNNCQEDXDMC-UHFFFAOYSA-N
XLogP2.59
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea with MolForge

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Related Compounds

1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443293
5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide
CID 96567152
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-methoxy-4-methylphenyl)urea
CID 111474071
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1-methylpiperidin-4-yl)urea
CID 111463952
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(3-ethynylphenyl)urea
CID 111473538
1-[3-(dimethylamino)cyclohexyl]-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
CID 111796089
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-methylcyclohexane-1-carboxamide
CID 111479183
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea
CID 111478668
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea
CID 111472886
1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol
CID 111467688
1-but-2-ynyl-3-(2-cyclopropylpyrimidin-5-yl)urea
CID 99789978

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea?
The IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea (CID 111474644) is 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea?
The canonical SMILES for 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea is Cc1cc(C(C)(O)CNC(=O)Nc2cnc(C3CC3)nc2)c(C)o1.
What is the InChIKey of 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea?
The InChIKey is GBMHNNCQEDXDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10-6-14(11(2)24-10)17(3,23)9-20-16(22)21-13-7-18-15(19-8-13)12-4-5-12/h6-8,12,23H,4-5,9H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea?
1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea has a molecular weight of 330.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea is sourced from PubChem (CID 111474644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).