1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea

C15H18N4O3 — CID 108891346

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea
SMILESCOc1ccc(CCNC(=O)Nc2ncccn2)cc1OC
InChIInChI=1S/C15H18N4O3/c1-21-12-5-4-11(10-13(12)22-2)6-9-18-15(20)19-14-16-7-3-8-17-14/h3-5,7-8,10H,6,9H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyYSDOEPRJNIJWKA-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.86
Rot. Bonds6

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea (PubChem CID 108891346) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea
PubChem CID108891346
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea
SMILESCOc1ccc(CCNC(=O)Nc2ncccn2)cc1OC
InChIInChI=1S/C15H18N4O3/c1-21-12-5-4-11(10-13(12)22-2)6-9-18-15(20)19-14-16-7-3-8-17-14/h3-5,7-8,10H,6,9H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyYSDOEPRJNIJWKA-UHFFFAOYSA-N
XLogP1.86
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 108891342
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea
CID 108868367
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 108891338
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoic acid
CID 108891296
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
1-[2-(4-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891454

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea (CID 108891346) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea is COc1ccc(CCNC(=O)Nc2ncccn2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea?
The InChIKey is YSDOEPRJNIJWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-21-12-5-4-11(10-13(12)22-2)6-9-18-15(20)19-14-16-7-3-8-17-14/h3-5,7-8,10H,6,9H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea has a molecular weight of 302.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea is sourced from PubChem (CID 108891346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).