6-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide

C28H27N7OS — CID 42623127

IUPAC6-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
SMILESCN(C)CCN(C)c1cc(C(=O)Nc2ccccc2-c2nc3cccnc3s2)nc(-c2ccccc2)n1
InChIInChI=1S/C28H27N7OS/c1-34(2)16-17-35(3)24-18-23(30-25(33-24)19-10-5-4-6-11-19)26(36)31-21-13-8-7-12-20(21)27-32-22-14-9-15-29-28(22)37-27/h4-15,18H,16-17H2,1-3H3,(H,31,36)
InChIKeyCFPWTXCAZFCBGO-UHFFFAOYSA-N
MW509.64 g/mol
LogP5.07
Rot. Bonds8

About 6-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide

6-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide (PubChem CID 42623127) has the molecular formula C28H27N7OS and a molecular weight of 509.64 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
PubChem CID42623127
Molecular FormulaC28H27N7OS
Molecular Weight509.64 g/mol
Exact Mass509.20
IUPAC Name6-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
SMILESCN(C)CCN(C)c1cc(C(=O)Nc2ccccc2-c2nc3cccnc3s2)nc(-c2ccccc2)n1
InChIInChI=1S/C28H27N7OS/c1-34(2)16-17-35(3)24-18-23(30-25(33-24)19-10-5-4-6-11-19)26(36)31-21-13-8-7-12-20(21)27-32-22-14-9-15-29-28(22)37-27/h4-15,18H,16-17H2,1-3H3,(H,31,36)
InChIKeyCFPWTXCAZFCBGO-UHFFFAOYSA-N
XLogP5.07
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.64
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide (CID 42623127) is 6-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide is CN(C)CCN(C)c1cc(C(=O)Nc2ccccc2-c2nc3cccnc3s2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is CFPWTXCAZFCBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7OS/c1-34(2)16-17-35(3)24-18-23(30-25(33-24)19-10-5-4-6-11-19)26(36)31-21-13-8-7-12-20(21)27-32-22-14-9-15-29-28(22)37-27/h4-15,18H,16-17H2,1-3H3,(H,31,36).
What are the key properties of 6-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
6-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 509.64 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 42623127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).