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

C21H27N5S — CID 60505649

IUPACN-[2-(4-ethylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN1CCN(C(C)CNc2ncnc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C21H27N5S/c1-3-25-9-11-26(12-10-25)16(2)14-22-20-18-13-19(17-7-5-4-6-8-17)27-21(18)24-15-23-20/h4-8,13,15-16H,3,9-12,14H2,1-2H3,(H,22,23,24)
InChIKeyLIHGPMZWZFHMOM-UHFFFAOYSA-N
MW381.55 g/mol
LogP3.80
Rot. Bonds6

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

N-[2-(4-ethylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 60505649) has the molecular formula C21H27N5S and a molecular weight of 381.55 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID60505649
Molecular FormulaC21H27N5S
Molecular Weight381.55 g/mol
Exact Mass381.20
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN1CCN(C(C)CNc2ncnc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C21H27N5S/c1-3-25-9-11-26(12-10-25)16(2)14-22-20-18-13-19(17-7-5-4-6-8-17)27-21(18)24-15-23-20/h4-8,13,15-16H,3,9-12,14H2,1-2H3,(H,22,23,24)
InChIKeyLIHGPMZWZFHMOM-UHFFFAOYSA-N
XLogP3.80
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 60505649) is N-[2-(4-ethylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine is CCN1CCN(C(C)CNc2ncnc3sc(-c4ccccc4)cc23)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LIHGPMZWZFHMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5S/c1-3-25-9-11-26(12-10-25)16(2)14-22-20-18-13-19(17-7-5-4-6-8-17)27-21(18)24-15-23-20/h4-8,13,15-16H,3,9-12,14H2,1-2H3,(H,22,23,24).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[2-(4-ethylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 381.55 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 60505649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).