2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine

C19H17N5S — CID 17499231

IUPAC2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine
SMILESCN(C)c1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cn1
InChIInChI=1S/C19H17N5S/c1-24(2)16-9-8-14(10-20-16)23-18-17-15(13-6-4-3-5-7-13)11-25-19(17)22-12-21-18/h3-12H,1-2H3,(H,21,22,23)
InChIKeyPSXTUIZOAJFSBH-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.56
Rot. Bonds4

About 2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine

2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine (PubChem CID 17499231) has the molecular formula C19H17N5S and a molecular weight of 347.45 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine
PubChem CID17499231
Molecular FormulaC19H17N5S
Molecular Weight347.45 g/mol
Exact Mass347.12
IUPAC Name2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine
SMILESCN(C)c1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cn1
InChIInChI=1S/C19H17N5S/c1-24(2)16-9-8-14(10-20-16)23-18-17-15(13-6-4-3-5-7-13)11-25-19(17)22-12-21-18/h3-12H,1-2H3,(H,21,22,23)
InChIKeyPSXTUIZOAJFSBH-UHFFFAOYSA-N
XLogP4.56
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine with MolForge

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Related Compounds

1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
CID 21009510
N-(3,4-dimethoxyphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7636536
[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]arsonic acid
CID 112501316
N-(4-butoxyphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635936
N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 21010054
5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 26470392
5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 2420107
N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7574829
N-[3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 21011861
5-(4-methylphenyl)-N-(3-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2391301
5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110659879
5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 1194680

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine?
The IUPAC name of 2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine (CID 17499231) is 2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine is CN(C)c1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cn1.
What is the InChIKey of 2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine?
The InChIKey is PSXTUIZOAJFSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5S/c1-24(2)16-9-8-14(10-20-16)23-18-17-15(13-6-4-3-5-7-13)11-25-19(17)22-12-21-18/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of 2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine?
2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine has a molecular weight of 347.45 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine is sourced from PubChem (CID 17499231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).