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

C27H34N6OS — CID 71260471

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclohexane]-2-amine
SMILESCOc1cc(Nc2nc3c(c(N4CCCCC4)n2)SC2(CCCCC2)C3)ccc1-n1cnc(C)c1
InChIInChI=1S/C27H34N6OS/c1-19-17-33(18-28-19)22-10-9-20(15-23(22)34-2)29-26-30-21-16-27(11-5-3-6-12-27)35-24(21)25(31-26)32-13-7-4-8-14-32/h9-10,15,17-18H,3-8,11-14,16H2,1-2H3,(H,29,30,31)
InChIKeyPMPKDQYQQLCJJY-UHFFFAOYSA-N
MW490.68 g/mol
LogP6.06
Rot. Bonds5

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

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclohexane]-2-amine (PubChem CID 71260471) has the molecular formula C27H34N6OS and a molecular weight of 490.68 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'-cyclohexane]-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'-cyclohexane]-2-amine
PubChem CID71260471
Molecular FormulaC27H34N6OS
Molecular Weight490.68 g/mol
Exact Mass490.25
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclohexane]-2-amine
SMILESCOc1cc(Nc2nc3c(c(N4CCCCC4)n2)SC2(CCCCC2)C3)ccc1-n1cnc(C)c1
InChIInChI=1S/C27H34N6OS/c1-19-17-33(18-28-19)22-10-9-20(15-23(22)34-2)29-26-30-21-16-27(11-5-3-6-12-27)35-24(21)25(31-26)32-13-7-4-8-14-32/h9-10,15,17-18H,3-8,11-14,16H2,1-2H3,(H,29,30,31)
InChIKeyPMPKDQYQQLCJJY-UHFFFAOYSA-N
XLogP6.06
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.68
LogP ≤ 56.06
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'-cyclohexane]-2-amine with MolForge

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Related Compounds

4-N-cyclopentyl-2-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-oxospiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2,4-diamine
CID 71260365
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-6-methylidene-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-2-amine
CID 118011296
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
4-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 59333801
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-6-methylidene-4-(2-methylpropyl)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-2-amine
CID 118011307
6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 178075717
7-(4-fluorophenyl)-4-(3-methoxy-3-methylazetidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 58414471
7-cyclobutyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 123965914
benzene;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
CID 144890338
8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53340581
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine
CID 178075687

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'-cyclohexane]-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'-cyclohexane]-2-amine (CID 71260471) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclohexane]-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'-cyclohexane]-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'-cyclohexane]-2-amine is COc1cc(Nc2nc3c(c(N4CCCCC4)n2)SC2(CCCCC2)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'-cyclohexane]-2-amine?
The InChIKey is PMPKDQYQQLCJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6OS/c1-19-17-33(18-28-19)22-10-9-20(15-23(22)34-2)29-26-30-21-16-27(11-5-3-6-12-27)35-24(21)25(31-26)32-13-7-4-8-14-32/h9-10,15,17-18H,3-8,11-14,16H2,1-2H3,(H,29,30,31).
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'-cyclohexane]-2-amine?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclohexane]-2-amine has a molecular weight of 490.68 g/mol, XLogP of 6.06, 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'-cyclohexane]-2-amine is sourced from PubChem (CID 71260471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).