N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide

C14H21N5OS — CID 103329780

IUPACN,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
SMILESCCN(CC)C(=O)C(C)Nc1nc(NC)nc2sccc12
InChIInChI=1S/C14H21N5OS/c1-5-19(6-2)13(20)9(3)16-11-10-7-8-21-12(10)18-14(15-4)17-11/h7-9H,5-6H2,1-4H3,(H2,15,16,17,18)
InChIKeyWUEROBIXCNQHMS-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.40
Rot. Bonds6

About N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide

N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide (PubChem CID 103329780) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
PubChem CID103329780
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC NameN,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
SMILESCCN(CC)C(=O)C(C)Nc1nc(NC)nc2sccc12
InChIInChI=1S/C14H21N5OS/c1-5-19(6-2)13(20)9(3)16-11-10-7-8-21-12(10)18-14(15-4)17-11/h7-9H,5-6H2,1-4H3,(H2,15,16,17,18)
InChIKeyWUEROBIXCNQHMS-UHFFFAOYSA-N
XLogP2.40
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
CID 103325902
4-N-[1-(diethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326985
2-N-methyl-4-N-(2-methylpentan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325944
4-N-[1-(dimethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329471
2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324758
4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 106358078
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329081
2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 103325098
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326180
2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324196
4-N-(4-methoxybutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328328
methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103324325

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide?
The IUPAC name of N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide (CID 103329780) is N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide is CCN(CC)C(=O)C(C)Nc1nc(NC)nc2sccc12.
What is the InChIKey of N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide?
The InChIKey is WUEROBIXCNQHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-5-19(6-2)13(20)9(3)16-11-10-7-8-21-12(10)18-14(15-4)17-11/h7-9H,5-6H2,1-4H3,(H2,15,16,17,18).
What are the key properties of N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide?
N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide has a molecular weight of 307.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 103329780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).