N,N-dimethyl-1-(5-phenyl-4-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)methanamine

C20H18N4S — CID 141105825

IUPACN,N-dimethyl-1-(5-phenyl-4-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)methanamine
SMILESCN(C)Cc1nc(-c2ccccn2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H18N4S/c1-24(2)12-17-22-19(16-10-6-7-11-21-16)18-15(13-25-20(18)23-17)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyTXWSSTBQXXXWQN-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.48
Rot. Bonds4

About N,N-dimethyl-1-(5-phenyl-4-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)methanamine

N,N-dimethyl-1-(5-phenyl-4-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)methanamine (PubChem CID 141105825) has the molecular formula C20H18N4S and a molecular weight of 346.46 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-phenyl-4-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-phenyl-4-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)methanamine
PubChem CID141105825
Molecular FormulaC20H18N4S
Molecular Weight346.46 g/mol
Exact Mass346.13
IUPAC NameN,N-dimethyl-1-(5-phenyl-4-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)methanamine
SMILESCN(C)Cc1nc(-c2ccccn2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H18N4S/c1-24(2)12-17-22-19(16-10-6-7-11-21-16)18-15(13-25-20(18)23-17)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyTXWSSTBQXXXWQN-UHFFFAOYSA-N
XLogP4.48
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 141105809
1-[4-[(2-bromo-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine
CID 133279161
N,N-dimethyl-1-(5-phenyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidin-2-yl)methanamine
CID 133406632
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 133278690
N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine
CID 133278686
N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133362238
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
1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine
CID 133279187
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 133278807
N,N-dimethyl-1-[5-phenyl-4-(4-prop-2-ynylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methanamine
CID 133278924
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 122062590

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-phenyl-4-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(5-phenyl-4-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)methanamine (CID 141105825) is N,N-dimethyl-1-(5-phenyl-4-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(5-phenyl-4-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(5-phenyl-4-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)methanamine is CN(C)Cc1nc(-c2ccccn2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of N,N-dimethyl-1-(5-phenyl-4-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)methanamine?
The InChIKey is TXWSSTBQXXXWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4S/c1-24(2)12-17-22-19(16-10-6-7-11-21-16)18-15(13-25-20(18)23-17)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(5-phenyl-4-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)methanamine?
N,N-dimethyl-1-(5-phenyl-4-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)methanamine has a molecular weight of 346.46 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5-phenyl-4-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)methanamine is sourced from PubChem (CID 141105825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).