2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine

C27H24F3N7O — CID 172774564

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine
SMILESCOc1ncnc(C2CC2)c1-c1ncc2c(n1)c(Cc1ccc(-n3nc(C(F)(F)F)cc3C)cc1)cn2C
InChIInChI=1S/C27H24F3N7O/c1-15-10-21(27(28,29)30)35-37(15)19-8-4-16(5-9-19)11-18-13-36(2)20-12-31-25(34-23(18)20)22-24(17-6-7-17)32-14-33-26(22)38-3/h4-5,8-10,12-14,17H,6-7,11H2,1-3H3
InChIKeyNKHLWGIEXMPXHA-UHFFFAOYSA-N
MW519.53 g/mol
LogP5.42
Rot. Bonds6

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine (PubChem CID 172774564) has the molecular formula C27H24F3N7O and a molecular weight of 519.53 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine
PubChem CID172774564
Molecular FormulaC27H24F3N7O
Molecular Weight519.53 g/mol
Exact Mass519.20
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine
SMILESCOc1ncnc(C2CC2)c1-c1ncc2c(n1)c(Cc1ccc(-n3nc(C(F)(F)F)cc3C)cc1)cn2C
InChIInChI=1S/C27H24F3N7O/c1-15-10-21(27(28,29)30)35-37(15)19-8-4-16(5-9-19)11-18-13-36(2)20-12-31-25(34-23(18)20)22-24(17-6-7-17)32-14-33-26(22)38-3/h4-5,8-10,12-14,17H,6-7,11H2,1-3H3
InChIKeyNKHLWGIEXMPXHA-UHFFFAOYSA-N
XLogP5.42
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.53
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine (CID 172774564) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine is COc1ncnc(C2CC2)c1-c1ncc2c(n1)c(Cc1ccc(-n3nc(C(F)(F)F)cc3C)cc1)cn2C.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine?
The InChIKey is NKHLWGIEXMPXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N7O/c1-15-10-21(27(28,29)30)35-37(15)19-8-4-16(5-9-19)11-18-13-36(2)20-12-31-25(34-23(18)20)22-24(17-6-7-17)32-14-33-26(22)38-3/h4-5,8-10,12-14,17H,6-7,11H2,1-3H3.
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine has a molecular weight of 519.53 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 172774564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).