N-(2-cyclopropylbutyl)-1-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine

C25H32N4S — CID 143726083

IUPACN-(2-cyclopropylbutyl)-1-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCCC(CNC1CCN(c2ncnc3sc(-c4ccccc4)c(C)c23)CC1)C1CC1
InChIInChI=1S/C25H32N4S/c1-3-18(19-9-10-19)15-26-21-11-13-29(14-12-21)24-22-17(2)23(20-7-5-4-6-8-20)30-25(22)28-16-27-24/h4-8,16,18-19,21,26H,3,9-15H2,1-2H3
InChIKeyBTLODLKNWDXUHB-UHFFFAOYSA-N
MW420.63 g/mol
LogP5.66
Rot. Bonds7

About N-(2-cyclopropylbutyl)-1-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine

N-(2-cyclopropylbutyl)-1-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine (PubChem CID 143726083) has the molecular formula C25H32N4S and a molecular weight of 420.63 g/mol. Its IUPAC name is N-(2-cyclopropylbutyl)-1-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-cyclopropylbutyl)-1-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
PubChem CID143726083
Molecular FormulaC25H32N4S
Molecular Weight420.63 g/mol
Exact Mass420.23
IUPAC NameN-(2-cyclopropylbutyl)-1-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCCC(CNC1CCN(c2ncnc3sc(-c4ccccc4)c(C)c23)CC1)C1CC1
InChIInChI=1S/C25H32N4S/c1-3-18(19-9-10-19)15-26-21-11-13-29(14-12-21)24-22-17(2)23(20-7-5-4-6-8-20)30-25(22)28-16-27-24/h4-8,16,18-19,21,26H,3,9-15H2,1-2H3
InChIKeyBTLODLKNWDXUHB-UHFFFAOYSA-N
XLogP5.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.63
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-6-phenyl-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 8566523
N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 41332420
2-ethyl-4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]phenol
CID 24936885
1-(2,3-difluoro-4-methoxyphenoxy)-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propan-2-ol
CID 69045288
4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 2132383
5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 705854
N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 9268829
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
4-[4-(bromomethyl)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80670146
4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 675438
1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976599
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 78855921

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylbutyl)-1-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-(2-cyclopropylbutyl)-1-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine (CID 143726083) is N-(2-cyclopropylbutyl)-1-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-(2-cyclopropylbutyl)-1-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-(2-cyclopropylbutyl)-1-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine is CCC(CNC1CCN(c2ncnc3sc(-c4ccccc4)c(C)c23)CC1)C1CC1.
What is the InChIKey of N-(2-cyclopropylbutyl)-1-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The InChIKey is BTLODLKNWDXUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4S/c1-3-18(19-9-10-19)15-26-21-11-13-29(14-12-21)24-22-17(2)23(20-7-5-4-6-8-20)30-25(22)28-16-27-24/h4-8,16,18-19,21,26H,3,9-15H2,1-2H3.
What are the key properties of N-(2-cyclopropylbutyl)-1-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
N-(2-cyclopropylbutyl)-1-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine has a molecular weight of 420.63 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylbutyl)-1-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 143726083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).