(1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine

C20H22N6S — CID 97317316

IUPAC(1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCN(C)[C@H](CNc1ncnc2scc(-c3ccccc3)c12)c1cnn(C)c1
InChIInChI=1S/C20H22N6S/c1-25(2)17(15-9-24-26(3)11-15)10-21-19-18-16(14-7-5-4-6-8-14)12-27-20(18)23-13-22-19/h4-9,11-13,17H,10H2,1-3H3,(H,21,22,23)/t17-/m1/s1
InChIKeyHEIPASXNLOGRDQ-QGZVFWFLSA-N
MW378.51 g/mol
LogP3.81
Rot. Bonds6

About (1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine

(1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 97317316) has the molecular formula C20H22N6S and a molecular weight of 378.51 g/mol. Its IUPAC name is (1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID97317316
Molecular FormulaC20H22N6S
Molecular Weight378.51 g/mol
Exact Mass378.16
IUPAC Name(1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCN(C)[C@H](CNc1ncnc2scc(-c3ccccc3)c12)c1cnn(C)c1
InChIInChI=1S/C20H22N6S/c1-25(2)17(15-9-24-26(3)11-15)10-21-19-18-16(14-7-5-4-6-8-14)12-27-20(18)23-13-22-19/h4-9,11-13,17H,10H2,1-3H3,(H,21,22,23)/t17-/m1/s1
InChIKeyHEIPASXNLOGRDQ-QGZVFWFLSA-N
XLogP3.81
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

(1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 97318496
1-(3-fluorophenyl)-N'-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylethane-1,2-diamine
CID 166186008
5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 3151763
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 31910848
1-[4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 60503068
N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 733188
5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 28849745
N'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 133306764
N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 68621787
methyl 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 4963724
2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 4076019
5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 705842

Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of (1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 97317316) is (1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for (1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine is CN(C)[C@H](CNc1ncnc2scc(-c3ccccc3)c12)c1cnn(C)c1.
What is the InChIKey of (1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is HEIPASXNLOGRDQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N6S/c1-25(2)17(15-9-24-26(3)11-15)10-21-19-18-16(14-7-5-4-6-8-14)12-27-20(18)23-13-22-19/h4-9,11-13,17H,10H2,1-3H3,(H,21,22,23)/t17-/m1/s1.
What are the key properties of (1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
(1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 378.51 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 97317316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).