pyrimidin-5-yl N-[1-[methyl-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamoyl]cyclopropyl]carbamate

C22H19F3N6O3 — CID 66616719

IUPACpyrimidin-5-yl N-[1-[methyl-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamoyl]cyclopropyl]carbamate
SMILESCN(C(=O)C1(NC(=O)Oc2cncnc2)CC1)c1ccc(Nc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C22H19F3N6O3/c1-31(19(32)21(8-9-21)30-20(33)34-15-11-26-13-27-12-15)18-7-6-14(10-28-18)29-17-5-3-2-4-16(17)22(23,24)25/h2-7,10-13,29H,8-9H2,1H3,(H,30,33)
InChIKeyYIHCBVYOINCVPL-UHFFFAOYSA-N
MW472.43 g/mol
LogP3.92
Rot. Bonds6

About pyrimidin-5-yl N-[1-[methyl-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamoyl]cyclopropyl]carbamate

pyrimidin-5-yl N-[1-[methyl-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamoyl]cyclopropyl]carbamate (PubChem CID 66616719) has the molecular formula C22H19F3N6O3 and a molecular weight of 472.43 g/mol. Its IUPAC name is pyrimidin-5-yl N-[1-[methyl-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamoyl]cyclopropyl]carbamate.

Molecular Properties

Compound Namepyrimidin-5-yl N-[1-[methyl-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamoyl]cyclopropyl]carbamate
PubChem CID66616719
Molecular FormulaC22H19F3N6O3
Molecular Weight472.43 g/mol
Exact Mass472.15
IUPAC Namepyrimidin-5-yl N-[1-[methyl-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamoyl]cyclopropyl]carbamate
SMILESCN(C(=O)C1(NC(=O)Oc2cncnc2)CC1)c1ccc(Nc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C22H19F3N6O3/c1-31(19(32)21(8-9-21)30-20(33)34-15-11-26-13-27-12-15)18-7-6-14(10-28-18)29-17-5-3-2-4-16(17)22(23,24)25/h2-7,10-13,29H,8-9H2,1H3,(H,30,33)
InChIKeyYIHCBVYOINCVPL-UHFFFAOYSA-N
XLogP3.92
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

pyrimidin-5-yl N-[(3S)-3-[[5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]-methylcarbamoyl]oxolan-3-yl]carbamate
CID 66616763
pyrimidin-5-yl N-[1-[1-[5-[4-chloro-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]ethylcarbamoyl]cyclopropyl]carbamate
CID 77153886
pyrimidin-5-yl N-[1-[[4-[4-propan-2-yloxy-2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]cyclopropyl]carbamate
CID 67532688
pyrimidin-5-yl N-[1-[[5-[2-(difluoromethyl)-4-methoxyphenoxy]-2-pyridinyl]-methylcarbamoyl]cyclopropyl]carbamate
CID 68761774
[6-(dimethylamino)pyridazin-4-yl] N-[1-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]cyclopropyl]carbamate
CID 89497198
ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate
CID 113034834
N-[1-oxo-3-[[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]thiolan-3-yl]pyrimidine-5-carboxamide
CID 46898613
(2-methoxypyrimidin-5-yl) N-[1-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]cyclopropyl]carbamate
CID 89497334
pyrimidin-5-yl N-[1-[[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]carbamate
CID 68759527
(2-ethoxypyrimidin-5-yl) N-[1-[[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]cyclopropyl]carbamate
CID 89497019
ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020178
5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 67532141

Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-yl N-[1-[methyl-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamoyl]cyclopropyl]carbamate?
The IUPAC name of pyrimidin-5-yl N-[1-[methyl-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamoyl]cyclopropyl]carbamate (CID 66616719) is pyrimidin-5-yl N-[1-[methyl-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamoyl]cyclopropyl]carbamate.
What is the SMILES notation for pyrimidin-5-yl N-[1-[methyl-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamoyl]cyclopropyl]carbamate?
The canonical SMILES for pyrimidin-5-yl N-[1-[methyl-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamoyl]cyclopropyl]carbamate is CN(C(=O)C1(NC(=O)Oc2cncnc2)CC1)c1ccc(Nc2ccccc2C(F)(F)F)cn1.
What is the InChIKey of pyrimidin-5-yl N-[1-[methyl-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamoyl]cyclopropyl]carbamate?
The InChIKey is YIHCBVYOINCVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O3/c1-31(19(32)21(8-9-21)30-20(33)34-15-11-26-13-27-12-15)18-7-6-14(10-28-18)29-17-5-3-2-4-16(17)22(23,24)25/h2-7,10-13,29H,8-9H2,1H3,(H,30,33).
What are the key properties of pyrimidin-5-yl N-[1-[methyl-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamoyl]cyclopropyl]carbamate?
pyrimidin-5-yl N-[1-[methyl-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamoyl]cyclopropyl]carbamate has a molecular weight of 472.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-yl N-[1-[methyl-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamoyl]cyclopropyl]carbamate is sourced from PubChem (CID 66616719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).