1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone

C14H19N5OS — CID 62178045

IUPAC1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCNc1nc(CN2CCN(C(C)=O)CC2)nc2sccc12
InChIInChI=1S/C14H19N5OS/c1-10(20)19-6-4-18(5-7-19)9-12-16-13(15-2)11-3-8-21-14(11)17-12/h3,8H,4-7,9H2,1-2H3,(H,15,16,17)
InChIKeyPJRVCKYGRFDVNS-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.40
Rot. Bonds3

About 1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone

1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 62178045) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone
PubChem CID62178045
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCNc1nc(CN2CCN(C(C)=O)CC2)nc2sccc12
InChIInChI=1S/C14H19N5OS/c1-10(20)19-6-4-18(5-7-19)9-12-16-13(15-2)11-3-8-21-14(11)17-12/h3,8H,4-7,9H2,1-2H3,(H,15,16,17)
InChIKeyPJRVCKYGRFDVNS-UHFFFAOYSA-N
XLogP1.40
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183290
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62209339
N-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62974588
2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63635807
1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol
CID 62208262
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63972968
N-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 114539498
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63025803
N-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178577
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 102966683
2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62182349
2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79412131

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone (CID 62178045) is 1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone is CNc1nc(CN2CCN(C(C)=O)CC2)nc2sccc12.
What is the InChIKey of 1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is PJRVCKYGRFDVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10(20)19-6-4-18(5-7-19)9-12-16-13(15-2)11-3-8-21-14(11)17-12/h3,8H,4-7,9H2,1-2H3,(H,15,16,17).
What are the key properties of 1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 305.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 62178045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).