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

C17H20N4OS — CID 133278690

IUPAC2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
SMILESCN(C)Cc1nc(NCCO)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C17H20N4OS/c1-21(2)10-14-19-16(18-8-9-22)15-13(11-23-17(15)20-14)12-6-4-3-5-7-12/h3-7,11,22H,8-10H2,1-2H3,(H,18,19,20)
InChIKeyKSAFNTWBBKBTRH-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.82
Rot. Bonds6

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

2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol (PubChem CID 133278690) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
PubChem CID133278690
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
SMILESCN(C)Cc1nc(NCCO)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C17H20N4OS/c1-21(2)10-14-19-16(18-8-9-22)15-13(11-23-17(15)20-14)12-6-4-3-5-7-12/h3-7,11,22H,8-10H2,1-2H3,(H,18,19,20)
InChIKeyKSAFNTWBBKBTRH-UHFFFAOYSA-N
XLogP2.82
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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]-N,N-dimethylacetamide
CID 133278807
2-[(dimethylamino)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279089
2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 93214379
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 122058325
N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133362238
N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 133447047
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 122062590
2-[(dimethylamino)methyl]-N-(oxolan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278676
N-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 133279040
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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol (CID 133278690) is 2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol is CN(C)Cc1nc(NCCO)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol?
The InChIKey is KSAFNTWBBKBTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-21(2)10-14-19-16(18-8-9-22)15-13(11-23-17(15)20-14)12-6-4-3-5-7-12/h3-7,11,22H,8-10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol?
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol has a molecular weight of 328.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 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]ethanol is sourced from PubChem (CID 133278690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).