N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C18H18N4S — CID 9410779

IUPACN-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N/N=C3\CCc4ccccc4C3)c2c1C
InChIInChI=1S/C18H18N4S/c1-11-12(2)23-18-16(11)17(19-10-20-18)22-21-15-8-7-13-5-3-4-6-14(13)9-15/h3-6,10H,7-9H2,1-2H3,(H,19,20,22)/b21-15+
InChIKeyARJJEYLRSYCHKK-RCCKNPSSSA-N
MW322.44 g/mol
LogP4.26
Rot. Bonds2

About N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 9410779) has the molecular formula C18H18N4S and a molecular weight of 322.44 g/mol. Its IUPAC name is N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID9410779
Molecular FormulaC18H18N4S
Molecular Weight322.44 g/mol
Exact Mass322.13
IUPAC NameN-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N/N=C3\CCc4ccccc4C3)c2c1C
InChIInChI=1S/C18H18N4S/c1-11-12(2)23-18-16(11)17(19-10-20-18)22-21-15-8-7-13-5-3-4-6-14(13)9-15/h3-6,10H,7-9H2,1-2H3,(H,19,20,22)/b21-15+
InChIKeyARJJEYLRSYCHKK-RCCKNPSSSA-N
XLogP4.26
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(1-benzylpiperidin-4-ylidene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 9409213
N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 11941077
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979
5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine
CID 9409217
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 7966290
5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 731283
N-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 3124056
5,6-dimethyl-N-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-amine
CID 79106358
N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 15985074
5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 705281
5,6-dimethyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 7966291

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 9410779) is N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(N/N=C3\CCc4ccccc4C3)c2c1C.
What is the InChIKey of N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ARJJEYLRSYCHKK-RCCKNPSSSA-N. The full InChI is InChI=1S/C18H18N4S/c1-11-12(2)23-18-16(11)17(19-10-20-18)22-21-15-8-7-13-5-3-4-6-14(13)9-15/h3-6,10H,7-9H2,1-2H3,(H,19,20,22)/b21-15+.
What are the key properties of N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 322.44 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9410779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).