3-(6-methoxypyrimidin-4-yl)-1-methyl-1-(3,3,3-trifluoropropyl)urea

C10H13F3N4O2 — CID 75484499

IUPAC3-(6-methoxypyrimidin-4-yl)-1-methyl-1-(3,3,3-trifluoropropyl)urea
SMILESCOc1cc(NC(=O)N(C)CCC(F)(F)F)ncn1
InChIInChI=1S/C10H13F3N4O2/c1-17(4-3-10(11,12)13)9(18)16-7-5-8(19-2)15-6-14-7/h5-6H,3-4H2,1-2H3,(H,14,15,16,18)
InChIKeyTYJTWYRMDCEQGX-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.90
Rot. Bonds4

About 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-(3,3,3-trifluoropropyl)urea

3-(6-methoxypyrimidin-4-yl)-1-methyl-1-(3,3,3-trifluoropropyl)urea (PubChem CID 75484499) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-(3,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name3-(6-methoxypyrimidin-4-yl)-1-methyl-1-(3,3,3-trifluoropropyl)urea
PubChem CID75484499
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Name3-(6-methoxypyrimidin-4-yl)-1-methyl-1-(3,3,3-trifluoropropyl)urea
SMILESCOc1cc(NC(=O)N(C)CCC(F)(F)F)ncn1
InChIInChI=1S/C10H13F3N4O2/c1-17(4-3-10(11,12)13)9(18)16-7-5-8(19-2)15-6-14-7/h5-6H,3-4H2,1-2H3,(H,14,15,16,18)
InChIKeyTYJTWYRMDCEQGX-UHFFFAOYSA-N
XLogP1.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-6-methoxypyrimidine
CID 735731
4-Methoxy-6-(piperazin-1-yl)pyrimidine
CID 45789017
1-(Dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 84600483
1-(Cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 84600627
1-(2-Cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 84600681
N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide
CID 136548989
6-methoxy-N-methylpyrimidin-4-amine
CID 16044348
6-methoxy-N,N-dimethylpyrimidin-4-amine
CID 23422081
1-Butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 75454038
(4S)-N-(6-methoxypyrimidin-4-yl)-4-methylazepane-1-carboxamide
CID 97350296
4-amino-2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-one
CID 136083822
(2R)-N-(6-methoxypyrimidin-4-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 164630411

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-(3,3,3-trifluoropropyl)urea?
The IUPAC name of 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-(3,3,3-trifluoropropyl)urea (CID 75484499) is 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-(3,3,3-trifluoropropyl)urea.
What is the SMILES notation for 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-(3,3,3-trifluoropropyl)urea?
The canonical SMILES for 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-(3,3,3-trifluoropropyl)urea is COc1cc(NC(=O)N(C)CCC(F)(F)F)ncn1.
What is the InChIKey of 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-(3,3,3-trifluoropropyl)urea?
The InChIKey is TYJTWYRMDCEQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c1-17(4-3-10(11,12)13)9(18)16-7-5-8(19-2)15-6-14-7/h5-6H,3-4H2,1-2H3,(H,14,15,16,18).
What are the key properties of 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-(3,3,3-trifluoropropyl)urea?
3-(6-methoxypyrimidin-4-yl)-1-methyl-1-(3,3,3-trifluoropropyl)urea has a molecular weight of 278.23 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-(3,3,3-trifluoropropyl)urea is sourced from PubChem (CID 75484499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).