2,2-dimethyl-3-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]sulfanylpropanamide

C19H25N7OS — CID 90183471

IUPAC2,2-dimethyl-3-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]sulfanylpropanamide
SMILESCc1nc2cnc(Nc3ccnc(SCC(C)(C)C(N)=O)n3)cc2n1C(C)C
InChIInChI=1S/C19H25N7OS/c1-11(2)26-12(3)23-13-9-22-16(8-14(13)26)24-15-6-7-21-18(25-15)28-10-19(4,5)17(20)27/h6-9,11H,10H2,1-5H3,(H2,20,27)(H,21,22,24,25)
InChIKeyUCZUTCUHEHGTJN-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.46
Rot. Bonds7

About 2,2-dimethyl-3-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]sulfanylpropanamide

2,2-dimethyl-3-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]sulfanylpropanamide (PubChem CID 90183471) has the molecular formula C19H25N7OS and a molecular weight of 399.52 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]sulfanylpropanamide
PubChem CID90183471
Molecular FormulaC19H25N7OS
Molecular Weight399.52 g/mol
Exact Mass399.18
IUPAC Name2,2-dimethyl-3-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]sulfanylpropanamide
SMILESCc1nc2cnc(Nc3ccnc(SCC(C)(C)C(N)=O)n3)cc2n1C(C)C
InChIInChI=1S/C19H25N7OS/c1-11(2)26-12(3)23-13-9-22-16(8-14(13)26)24-15-6-7-21-18(25-15)28-10-19(4,5)17(20)27/h6-9,11H,10H2,1-5H3,(H2,20,27)(H,21,22,24,25)
InChIKeyUCZUTCUHEHGTJN-UHFFFAOYSA-N
XLogP3.46
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]sulfanylpropanamide?
The IUPAC name of 2,2-dimethyl-3-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]sulfanylpropanamide (CID 90183471) is 2,2-dimethyl-3-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]sulfanylpropanamide.
What is the SMILES notation for 2,2-dimethyl-3-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]sulfanylpropanamide?
The canonical SMILES for 2,2-dimethyl-3-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]sulfanylpropanamide is Cc1nc2cnc(Nc3ccnc(SCC(C)(C)C(N)=O)n3)cc2n1C(C)C.
What is the InChIKey of 2,2-dimethyl-3-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]sulfanylpropanamide?
The InChIKey is UCZUTCUHEHGTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7OS/c1-11(2)26-12(3)23-13-9-22-16(8-14(13)26)24-15-6-7-21-18(25-15)28-10-19(4,5)17(20)27/h6-9,11H,10H2,1-5H3,(H2,20,27)(H,21,22,24,25).
What are the key properties of 2,2-dimethyl-3-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]sulfanylpropanamide?
2,2-dimethyl-3-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]sulfanylpropanamide has a molecular weight of 399.52 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 90183471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).