N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

C20H22N4S — CID 133362238

IUPACN-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)Cc1nc(NC2CC=CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H22N4S/c1-24(2)12-17-22-19(21-15-10-6-7-11-15)18-16(13-25-20(18)23-17)14-8-4-3-5-9-14/h3-9,13,15H,10-12H2,1-2H3,(H,21,22,23)
InChIKeySPXJNXLIDYGQFY-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.55
Rot. Bonds5

About N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133362238) has the molecular formula C20H22N4S and a molecular weight of 350.49 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133362238
Molecular FormulaC20H22N4S
Molecular Weight350.49 g/mol
Exact Mass350.16
IUPAC NameN-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)Cc1nc(NC2CC=CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H22N4S/c1-24(2)12-17-22-19(21-15-10-6-7-11-15)18-16(13-25-20(18)23-17)14-8-4-3-5-9-14/h3-9,13,15H,10-12H2,1-2H3,(H,21,22,23)
InChIKeySPXJNXLIDYGQFY-UHFFFAOYSA-N
XLogP4.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278823
2-[(dimethylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278793
methyl 3-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate
CID 133385745
N-(2-cyclopropyloxan-4-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133473734
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133313013
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 133278690
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 122058325
2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278781
2-[(dimethylamino)methyl]-N-(oxolan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278676
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 133278807
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 122062590
2-[(dimethylamino)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279089

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 133362238) is N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is CN(C)Cc1nc(NC2CC=CC2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SPXJNXLIDYGQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4S/c1-24(2)12-17-22-19(21-15-10-6-7-11-15)18-16(13-25-20(18)23-17)14-8-4-3-5-9-14/h3-9,13,15H,10-12H2,1-2H3,(H,21,22,23).
What are the key properties of N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 350.49 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133362238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).