2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]pyrimidine-5-carboxamide

C30H31F3N8O3 — CID 178074525

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]pyrimidine-5-carboxamide
SMILESCOc1ncnc(C2CC2)c1-c1ncc(C(N)=O)c(N2CCOCC2c2ccc(-c3nc(C(F)(F)F)cn3C(C)C)cc2)n1
InChIInChI=1S/C30H31F3N8O3/c1-16(2)41-13-22(30(31,32)33)38-27(41)19-8-4-17(5-9-19)21-14-44-11-10-40(21)28-20(25(34)42)12-35-26(39-28)23-24(18-6-7-18)36-15-37-29(23)43-3/h4-5,8-9,12-13,15-16,18,21H,6-7,10-11,14H2,1-3H3,(H2,34,42)
InChIKeyDYRGPHLLFUJGRP-UHFFFAOYSA-N
MW608.63 g/mol
LogP4.96
Rot. Bonds8

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]pyrimidine-5-carboxamide

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]pyrimidine-5-carboxamide (PubChem CID 178074525) has the molecular formula C30H31F3N8O3 and a molecular weight of 608.63 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]pyrimidine-5-carboxamide
PubChem CID178074525
Molecular FormulaC30H31F3N8O3
Molecular Weight608.63 g/mol
Exact Mass608.25
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]pyrimidine-5-carboxamide
SMILESCOc1ncnc(C2CC2)c1-c1ncc(C(N)=O)c(N2CCOCC2c2ccc(-c3nc(C(F)(F)F)cn3C(C)C)cc2)n1
InChIInChI=1S/C30H31F3N8O3/c1-16(2)41-13-22(30(31,32)33)38-27(41)19-8-4-17(5-9-19)21-14-44-11-10-40(21)28-20(25(34)42)12-35-26(39-28)23-24(18-6-7-18)36-15-37-29(23)43-3/h4-5,8-9,12-13,15-16,18,21H,6-7,10-11,14H2,1-3H3,(H2,34,42)
InChIKeyDYRGPHLLFUJGRP-UHFFFAOYSA-N
XLogP4.96
TPSA134.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.63
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]pyrimidine-5-carboxamide (CID 178074525) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]pyrimidine-5-carboxamide is COc1ncnc(C2CC2)c1-c1ncc(C(N)=O)c(N2CCOCC2c2ccc(-c3nc(C(F)(F)F)cn3C(C)C)cc2)n1.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is DYRGPHLLFUJGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N8O3/c1-16(2)41-13-22(30(31,32)33)38-27(41)19-8-4-17(5-9-19)21-14-44-11-10-40(21)28-20(25(34)42)12-35-26(39-28)23-24(18-6-7-18)36-15-37-29(23)43-3/h4-5,8-9,12-13,15-16,18,21H,6-7,10-11,14H2,1-3H3,(H2,34,42).
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]pyrimidine-5-carboxamide?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 608.63 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 178074525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).