N-[4-[2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]acetamide

C23H29N5OS — CID 133288002

IUPACN-[4-[2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNc2nc(CN3CCCC3)nc3sc(C)c(C)c23)cc1
InChIInChI=1S/C23H29N5OS/c1-15-16(2)30-23-21(15)22(26-20(27-23)14-28-12-4-5-13-28)24-11-10-18-6-8-19(9-7-18)25-17(3)29/h6-9H,4-5,10-14H2,1-3H3,(H,25,29)(H,24,26,27)
InChIKeyYZXUBMMFTHZSEX-UHFFFAOYSA-N
MW423.59 g/mol
LogP4.52
Rot. Bonds7

About N-[4-[2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]acetamide

N-[4-[2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]acetamide (PubChem CID 133288002) has the molecular formula C23H29N5OS and a molecular weight of 423.59 g/mol. Its IUPAC name is N-[4-[2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]acetamide
PubChem CID133288002
Molecular FormulaC23H29N5OS
Molecular Weight423.59 g/mol
Exact Mass423.21
IUPAC NameN-[4-[2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNc2nc(CN3CCCC3)nc3sc(C)c(C)c23)cc1
InChIInChI=1S/C23H29N5OS/c1-15-16(2)30-23-21(15)22(26-20(27-23)14-28-12-4-5-13-28)24-11-10-18-6-8-19(9-7-18)25-17(3)29/h6-9H,4-5,10-14H2,1-3H3,(H,25,29)(H,24,26,27)
InChIKeyYZXUBMMFTHZSEX-UHFFFAOYSA-N
XLogP4.52
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133449330
5,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133495578
N-(1,3-benzodioxol-5-yl)-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 17497375
1-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 133353191
5,6-dimethyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18074902
4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxane-4-carboxamide
CID 133314294
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133271867
1-[[4-[[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 60521483
N-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 26455526
N-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 24661933
2-[4-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol
CID 133272554
2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(2-methylpiperidin-1-yl)propan-1-one
CID 133285559

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]acetamide (CID 133288002) is N-[4-[2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CCNc2nc(CN3CCCC3)nc3sc(C)c(C)c23)cc1.
What is the InChIKey of N-[4-[2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]acetamide?
The InChIKey is YZXUBMMFTHZSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5OS/c1-15-16(2)30-23-21(15)22(26-20(27-23)14-28-12-4-5-13-28)24-11-10-18-6-8-19(9-7-18)25-17(3)29/h6-9H,4-5,10-14H2,1-3H3,(H,25,29)(H,24,26,27).
What are the key properties of N-[4-[2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]acetamide?
N-[4-[2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]acetamide has a molecular weight of 423.59 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 133288002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).