1-[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]-3-(2-methoxyphenyl)urea

C14H16N4O3S — CID 142058599

IUPAC1-[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1nc(SC)ncc1CO
InChIInChI=1S/C14H16N4O3S/c1-21-11-6-4-3-5-10(11)16-13(20)17-12-9(8-19)7-15-14(18-12)22-2/h3-7,19H,8H2,1-2H3,(H2,15,16,17,18,20)
InChIKeyFMLYBWQRSRXXBD-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.34
Rot. Bonds5

About 1-[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]-3-(2-methoxyphenyl)urea

1-[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]-3-(2-methoxyphenyl)urea (PubChem CID 142058599) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]-3-(2-methoxyphenyl)urea
PubChem CID142058599
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name1-[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1nc(SC)ncc1CO
InChIInChI=1S/C14H16N4O3S/c1-21-11-6-4-3-5-10(11)16-13(20)17-12-9(8-19)7-15-14(18-12)22-2/h3-7,19H,8H2,1-2H3,(H2,15,16,17,18,20)
InChIKeyFMLYBWQRSRXXBD-UHFFFAOYSA-N
XLogP2.34
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 2226358
(4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol
CID 10681947
1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
N-(2-chloro-3-methoxyphenyl)-5-(chloromethyl)-2-methylsulfanylpyrimidin-4-amine
CID 178145775
1-(4-ethyl-1H-pyrazol-5-yl)-3-(2-methoxyphenyl)urea
CID 104620572
1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea
CID 71807636
1-(2-methoxyphenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081206
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 16772505
(2S)-2-ethyl-N-(2-methoxyphenyl)-3-oxobutanamide
CID 868013
(2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide
CID 97234739
1-(1-hydroxypropan-2-yl)-3-(2-methoxyphenyl)urea
CID 43417318
N-[2,5-diethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 1428113

Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]-3-(2-methoxyphenyl)urea (CID 142058599) is 1-[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1nc(SC)ncc1CO.
What is the InChIKey of 1-[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is FMLYBWQRSRXXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-21-11-6-4-3-5-10(11)16-13(20)17-12-9(8-19)7-15-14(18-12)22-2/h3-7,19H,8H2,1-2H3,(H2,15,16,17,18,20).
What are the key properties of 1-[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]-3-(2-methoxyphenyl)urea?
1-[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 320.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 142058599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).