N-[(1-benzylpiperidin-4-ylidene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C20H23N5S — CID 9409213

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NN=C3CCN(Cc4ccccc4)CC3)c2c1C
InChIInChI=1S/C20H23N5S/c1-14-15(2)26-20-18(14)19(21-13-22-20)24-23-17-8-10-25(11-9-17)12-16-6-4-3-5-7-16/h3-7,13H,8-12H2,1-2H3,(H,21,22,24)
InChIKeyHSRCIDKSJIWHHN-UHFFFAOYSA-N
MW365.51 g/mol
LogP4.37
Rot. Bonds4

About N-[(1-benzylpiperidin-4-ylidene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[(1-benzylpiperidin-4-ylidene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 9409213) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID9409213
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NN=C3CCN(Cc4ccccc4)CC3)c2c1C
InChIInChI=1S/C20H23N5S/c1-14-15(2)26-20-18(14)19(21-13-22-20)24-23-17-8-10-25(11-9-17)12-16-6-4-3-5-7-16/h3-7,13H,8-12H2,1-2H3,(H,21,22,24)
InChIKeyHSRCIDKSJIWHHN-UHFFFAOYSA-N
XLogP4.37
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 9410779
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 7831341
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 11941077
5,6-dimethyl-N-(2-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 15985503
5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine
CID 9409217
N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 15985074
5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43600388
5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 731283
5,6-dimethyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 7966291
5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 757216
4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28854743

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 9409213) is N-[(1-benzylpiperidin-4-ylidene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NN=C3CCN(Cc4ccccc4)CC3)c2c1C.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HSRCIDKSJIWHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5S/c1-14-15(2)26-20-18(14)19(21-13-22-20)24-23-17-8-10-25(11-9-17)12-16-6-4-3-5-7-16/h3-7,13H,8-12H2,1-2H3,(H,21,22,24).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[(1-benzylpiperidin-4-ylidene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 365.51 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-ylidene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9409213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).