N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2-amine

C25H30N6OS — CID 71260392

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2-amine
SMILESCOc1cc(Nc2nc3c(c(N4CCCCC4)n2)SC2(CCC2)C3)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H30N6OS/c1-17-15-31(16-26-17)20-8-7-18(13-21(20)32-2)27-24-28-19-14-25(9-6-10-25)33-22(19)23(29-24)30-11-4-3-5-12-30/h7-8,13,15-16H,3-6,9-12,14H2,1-2H3,(H,27,28,29)
InChIKeyAMVOCRIKSXBICU-UHFFFAOYSA-N
MW462.62 g/mol
LogP5.28
Rot. Bonds5

About N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2-amine

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2-amine (PubChem CID 71260392) has the molecular formula C25H30N6OS and a molecular weight of 462.62 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2-amine
PubChem CID71260392
Molecular FormulaC25H30N6OS
Molecular Weight462.62 g/mol
Exact Mass462.22
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2-amine
SMILESCOc1cc(Nc2nc3c(c(N4CCCCC4)n2)SC2(CCC2)C3)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H30N6OS/c1-17-15-31(16-26-17)20-8-7-18(13-21(20)32-2)27-24-28-19-14-25(9-6-10-25)33-22(19)23(29-24)30-11-4-3-5-12-30/h7-8,13,15-16H,3-6,9-12,14H2,1-2H3,(H,27,28,29)
InChIKeyAMVOCRIKSXBICU-UHFFFAOYSA-N
XLogP5.28
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.62
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2-amine with MolForge

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Related Compounds

AZ191
CID 72716071
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-6-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-4-amine
CID 118735323
gamma-Secretase modulator 1
CID 42647277
2-(4-benzyl-2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)ethanol
CID 46199584
2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 58065745
(7S)-2-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-N-methyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 58075399
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-amine
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2-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 67414954
2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 67415170
3-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 67415210
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-phenylimidazo[1,2-a]pyridin-8-amine
CID 67415502
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-phenylimidazo[1,2-a]pyridin-8-amine
CID 67415655

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2-amine (CID 71260392) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2-amine is COc1cc(Nc2nc3c(c(N4CCCCC4)n2)SC2(CCC2)C3)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2-amine?
The InChIKey is AMVOCRIKSXBICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6OS/c1-17-15-31(16-26-17)20-8-7-18(13-21(20)32-2)27-24-28-19-14-25(9-6-10-25)33-22(19)23(29-24)30-11-4-3-5-12-30/h7-8,13,15-16H,3-6,9-12,14H2,1-2H3,(H,27,28,29).
What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2-amine?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2-amine has a molecular weight of 462.62 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2-amine is sourced from PubChem (CID 71260392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).