N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C17H27N5S — CID 52677943

IUPACN-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN1CCN([C@@H](C)CNc2ncnc3sc(C)c(C)c23)CC1
InChIInChI=1S/C17H27N5S/c1-5-21-6-8-22(9-7-21)12(2)10-18-16-15-13(3)14(4)23-17(15)20-11-19-16/h11-12H,5-10H2,1-4H3,(H,18,19,20)/t12-/m0/s1
InChIKeyCVBATMDMFQSFNO-LBPRGKRZSA-N
MW333.50 g/mol
LogP2.75
Rot. Bonds5

About N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 52677943) has the molecular formula C17H27N5S and a molecular weight of 333.50 g/mol. Its IUPAC name is N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID52677943
Molecular FormulaC17H27N5S
Molecular Weight333.50 g/mol
Exact Mass333.20
IUPAC NameN-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN1CCN([C@@H](C)CNc2ncnc3sc(C)c(C)c23)CC1
InChIInChI=1S/C17H27N5S/c1-5-21-6-8-22(9-7-21)12(2)10-18-16-15-13(3)14(4)23-17(15)20-11-19-16/h11-12H,5-10H2,1-4H3,(H,18,19,20)/t12-/m0/s1
InChIKeyCVBATMDMFQSFNO-LBPRGKRZSA-N
XLogP2.75
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 71684939
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 52677951
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
CID 113282648
N-(3-chloro-2-methylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 65037549
N-[2-(4-ethylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 60505649
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 8023168
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 8023171
1-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159127
1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol
CID 104594374
5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43600388
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 39081648

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 52677943) is N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CCN1CCN([C@@H](C)CNc2ncnc3sc(C)c(C)c23)CC1.
What is the InChIKey of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CVBATMDMFQSFNO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H27N5S/c1-5-21-6-8-22(9-7-21)12(2)10-18-16-15-13(3)14(4)23-17(15)20-11-19-16/h11-12H,5-10H2,1-4H3,(H,18,19,20)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 333.50 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 52677943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).