1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea

C20H20N4O2 — CID 119049787

IUPAC1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
SMILESCOCc1ccc(NC(=O)Nc2ccc(-c3nccc(C)n3)cc2)cc1
InChIInChI=1S/C20H20N4O2/c1-14-11-12-21-19(22-14)16-5-9-18(10-6-16)24-20(25)23-17-7-3-15(4-8-17)13-26-2/h3-12H,13H2,1-2H3,(H2,23,24,25)
InChIKeyVXVGIDFZQPSTNT-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.24
Rot. Bonds5

About 1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea

1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea (PubChem CID 119049787) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
PubChem CID119049787
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
SMILESCOCc1ccc(NC(=O)Nc2ccc(-c3nccc(C)n3)cc2)cc1
InChIInChI=1S/C20H20N4O2/c1-14-11-12-21-19(22-14)16-5-9-18(10-6-16)24-20(25)23-17-7-3-15(4-8-17)13-26-2/h3-12H,13H2,1-2H3,(H2,23,24,25)
InChIKeyVXVGIDFZQPSTNT-UHFFFAOYSA-N
XLogP4.24
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(hydroxymethyl)cyclopentyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
CID 111926476
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
CID 111412039
2-amino-3-methyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]pentanamide;hydrochloride
CID 119790178
1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea
CID 119049795
3-[methyl-[[4-(4-methylpyrimidin-2-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122084799
1-ethyl-1-(2-methylprop-2-enyl)-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
CID 56791436
1-[2-[4-(4-methylpyrimidin-2-yl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 91642886
1-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone
CID 21025827
(Z)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 97359898
N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119327335
1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99581775
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]cyclopropane-1-carboxamide
CID 102557297

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea?
The IUPAC name of 1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea (CID 119049787) is 1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea.
What is the SMILES notation for 1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea?
The canonical SMILES for 1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea is COCc1ccc(NC(=O)Nc2ccc(-c3nccc(C)n3)cc2)cc1.
What is the InChIKey of 1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea?
The InChIKey is VXVGIDFZQPSTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-11-12-21-19(22-14)16-5-9-18(10-6-16)24-20(25)23-17-7-3-15(4-8-17)13-26-2/h3-12H,13H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea?
1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea has a molecular weight of 348.41 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea is sourced from PubChem (CID 119049787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).