1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane

C14H16F3N5O2 — CID 157489209

IUPAC1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane
SMILESC.Cc1cc(N)nc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C13H12F3N5O2.CH4/c1-7-6-10(17)20-11(18-7)21-12(22)19-8-2-4-9(5-3-8)23-13(14,15)16;/h2-6H,1H3,(H4,17,18,19,20,21,22);1H4
InChIKeyBXBMRLDTIMFDNF-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.55
Rot. Bonds3

About 1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane

1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane (PubChem CID 157489209) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is 1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane.

Molecular Properties

Compound Name1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane
PubChem CID157489209
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC Name1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane
SMILESC.Cc1cc(N)nc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C13H12F3N5O2.CH4/c1-7-6-10(17)20-11(18-7)21-12(22)19-8-2-4-9(5-3-8)23-13(14,15)16;/h2-6H,1H3,(H4,17,18,19,20,21,22);1H4
InChIKeyBXBMRLDTIMFDNF-UHFFFAOYSA-N
XLogP3.55
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 134284785
1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 155451100
1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 149204916
1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 71568254
1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122356200
1-(2-methoxypyrimidin-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122301480
N-[6-methyl-4-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]-2-pyridinyl]acetamide
CID 118005673
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
3-amino-6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 87048212
6-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239251
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 11516527
3-[[6-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]pyrimidin-4-yl]amino]propyl N-methylcarbamate
CID 134284605

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane?
The IUPAC name of 1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane (CID 157489209) is 1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane.
What is the SMILES notation for 1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane?
The canonical SMILES for 1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane is C.Cc1cc(N)nc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane?
The InChIKey is BXBMRLDTIMFDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O2.CH4/c1-7-6-10(17)20-11(18-7)21-12(22)19-8-2-4-9(5-3-8)23-13(14,15)16;/h2-6H,1H3,(H4,17,18,19,20,21,22);1H4.
What are the key properties of 1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane?
1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane has a molecular weight of 343.31 g/mol, XLogP of 3.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane is sourced from PubChem (CID 157489209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).