8-cyclopropyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one

C17H18N6OS — CID 3233995

IUPAC8-cyclopropyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one
SMILESO=c1c(-c2cccs2)nc2cnc(N3CCNCC3)nc2n1C1CC1
InChIInChI=1S/C17H18N6OS/c24-16-14(13-2-1-9-25-13)20-12-10-19-17(22-7-5-18-6-8-22)21-15(12)23(16)11-3-4-11/h1-2,9-11,18H,3-8H2
InChIKeyAKIQYAWFHOZGTR-UHFFFAOYSA-N
MW354.44 g/mol
LogP1.66
Rot. Bonds3

About 8-cyclopropyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one

8-cyclopropyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one (PubChem CID 3233995) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 8-cyclopropyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one
PubChem CID3233995
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name8-cyclopropyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one
SMILESO=c1c(-c2cccs2)nc2cnc(N3CCNCC3)nc2n1C1CC1
InChIInChI=1S/C17H18N6OS/c24-16-14(13-2-1-9-25-13)20-12-10-19-17(22-7-5-18-6-8-22)21-15(12)23(16)11-3-4-11/h1-2,9-11,18H,3-8H2
InChIKeyAKIQYAWFHOZGTR-UHFFFAOYSA-N
XLogP1.66
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-ethyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328648
8-methyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328638
8-methyl-2-(phenylamino)-6-(thiophen-2-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328645
4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide
CID 162477931
8-Phenyl-6-thiophen-2-ylpteridin-7-one
CID 3232627
3-[2-(4-Methylpiperazin-1-yl)-7-oxo-6-thiophen-2-ylpteridin-8-yl]propanenitrile
CID 3232700
3-(2-Morpholin-4-yl-7-oxo-6-thiophen-2-ylpteridin-8-yl)propanenitrile
CID 3232726
2-(4-Methylpiperazin-1-yl)-8-phenyl-6-thiophen-2-ylpteridin-7-one
CID 3232811
2-(Ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one
CID 3232935
8-(2-Methoxyethyl)-6-thiophen-2-ylpteridin-7-one
CID 3233067
6-(3,5-Difluorophenyl)-2-(ethylamino)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233096
2-Piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233205

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 8-cyclopropyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one (CID 3233995) is 8-cyclopropyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 8-cyclopropyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one is O=c1c(-c2cccs2)nc2cnc(N3CCNCC3)nc2n1C1CC1.
What is the InChIKey of 8-cyclopropyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one?
The InChIKey is AKIQYAWFHOZGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c24-16-14(13-2-1-9-25-13)20-12-10-19-17(22-7-5-18-6-8-22)21-15(12)23(16)11-3-4-11/h1-2,9-11,18H,3-8H2.
What are the key properties of 8-cyclopropyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one?
8-cyclopropyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one has a molecular weight of 354.44 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3233995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).