2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide

C19H23N5OS — CID 133278807

IUPAC2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide
SMILESCN(C)Cc1nc(NCC(=O)N(C)C)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C19H23N5OS/c1-23(2)11-15-21-18(20-10-16(25)24(3)4)17-14(12-26-19(17)22-15)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,20,21,22)
InChIKeyKRNAIWVBIXZIPM-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.92
Rot. Bonds6

About 2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide

2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide (PubChem CID 133278807) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide
PubChem CID133278807
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide
SMILESCN(C)Cc1nc(NCC(=O)N(C)C)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C19H23N5OS/c1-23(2)11-15-21-18(20-10-16(25)24(3)4)17-14(12-26-19(17)22-15)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,20,21,22)
InChIKeyKRNAIWVBIXZIPM-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 133279040
2-[(dimethylamino)methyl]-N-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278781
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 122062590
5-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide
CID 133380672
2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278788
N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133362238
2-[(dimethylamino)methyl]-N-(oxolan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278676
2-[(dimethylamino)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279089
methyl 3-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate
CID 133385745
2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278823

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide (CID 133278807) is 2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide is CN(C)Cc1nc(NCC(=O)N(C)C)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide?
The InChIKey is KRNAIWVBIXZIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-23(2)11-15-21-18(20-10-16(25)24(3)4)17-14(12-26-19(17)22-15)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,20,21,22).
What are the key properties of 2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide?
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide has a molecular weight of 369.49 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 133278807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).