4-[4-(cyclohexylamino)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-phenylpiperazine-1-carboxamide

C23H30N6OS — CID 91087895

IUPAC4-[4-(cyclohexylamino)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2nc3c(c(NC4CCCCC4)n2)SCC3)CC1
InChIInChI=1S/C23H30N6OS/c30-23(25-18-9-5-2-6-10-18)29-14-12-28(13-15-29)22-26-19-11-16-31-20(19)21(27-22)24-17-7-3-1-4-8-17/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,25,30)(H,24,26,27)
InChIKeyVPMKGOZRFXSZQB-UHFFFAOYSA-N
MW438.60 g/mol
LogP4.22
Rot. Bonds4

About 4-[4-(cyclohexylamino)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-phenylpiperazine-1-carboxamide

4-[4-(cyclohexylamino)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-phenylpiperazine-1-carboxamide (PubChem CID 91087895) has the molecular formula C23H30N6OS and a molecular weight of 438.60 g/mol. Its IUPAC name is 4-[4-(cyclohexylamino)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(cyclohexylamino)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-phenylpiperazine-1-carboxamide
PubChem CID91087895
Molecular FormulaC23H30N6OS
Molecular Weight438.60 g/mol
Exact Mass438.22
IUPAC Name4-[4-(cyclohexylamino)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2nc3c(c(NC4CCCCC4)n2)SCC3)CC1
InChIInChI=1S/C23H30N6OS/c30-23(25-18-9-5-2-6-10-18)29-14-12-28(13-15-29)22-26-19-11-16-31-20(19)21(27-22)24-17-7-3-1-4-8-17/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,25,30)(H,24,26,27)
InChIKeyVPMKGOZRFXSZQB-UHFFFAOYSA-N
XLogP4.22
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-(cyclohexylamino)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-phenylpiperazine-1-carboxamide with MolForge

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Related Compounds

N-phenyl-2-(4-phenylpiperazin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 11956657
N-(oxan-4-yl)-2-(3-phenylazetidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 138687868
N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921957
3-(cyclohexylamino)-N-phenylpiperidine-1-carboxamide
CID 83999198
4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide
CID 22585325
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
4-(6-cyclopropylpyridazin-3-yl)-N-phenylpiperazine-1-carboxamide
CID 122279690
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119620174
cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836687
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexylamino)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[4-(cyclohexylamino)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-phenylpiperazine-1-carboxamide (CID 91087895) is 4-[4-(cyclohexylamino)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(cyclohexylamino)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[4-(cyclohexylamino)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(c2nc3c(c(NC4CCCCC4)n2)SCC3)CC1.
What is the InChIKey of 4-[4-(cyclohexylamino)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is VPMKGOZRFXSZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6OS/c30-23(25-18-9-5-2-6-10-18)29-14-12-28(13-15-29)22-26-19-11-16-31-20(19)21(27-22)24-17-7-3-1-4-8-17/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,25,30)(H,24,26,27).
What are the key properties of 4-[4-(cyclohexylamino)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-phenylpiperazine-1-carboxamide?
4-[4-(cyclohexylamino)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 438.60 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexylamino)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 91087895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).