2-N-(2-chloro-4-methoxyphenyl)-2-N-methyl-4-N-pentan-3-ylthieno[3,2-d]pyrimidine-2,4-diamine

C19H23ClN4OS — CID 90983176

IUPAC2-N-(2-chloro-4-methoxyphenyl)-2-N-methyl-4-N-pentan-3-ylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCCC(CC)Nc1nc(N(C)c2ccc(OC)cc2Cl)nc2ccsc12
InChIInChI=1S/C19H23ClN4OS/c1-5-12(6-2)21-18-17-15(9-10-26-17)22-19(23-18)24(3)16-8-7-13(25-4)11-14(16)20/h7-12H,5-6H2,1-4H3,(H,21,22,23)
InChIKeyQKGGQHGVQXOBIF-UHFFFAOYSA-N
MW390.94 g/mol
LogP5.72
Rot. Bonds7

About 2-N-(2-chloro-4-methoxyphenyl)-2-N-methyl-4-N-pentan-3-ylthieno[3,2-d]pyrimidine-2,4-diamine

2-N-(2-chloro-4-methoxyphenyl)-2-N-methyl-4-N-pentan-3-ylthieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 90983176) has the molecular formula C19H23ClN4OS and a molecular weight of 390.94 g/mol. Its IUPAC name is 2-N-(2-chloro-4-methoxyphenyl)-2-N-methyl-4-N-pentan-3-ylthieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-chloro-4-methoxyphenyl)-2-N-methyl-4-N-pentan-3-ylthieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID90983176
Molecular FormulaC19H23ClN4OS
Molecular Weight390.94 g/mol
Exact Mass390.13
IUPAC Name2-N-(2-chloro-4-methoxyphenyl)-2-N-methyl-4-N-pentan-3-ylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCCC(CC)Nc1nc(N(C)c2ccc(OC)cc2Cl)nc2ccsc12
InChIInChI=1S/C19H23ClN4OS/c1-5-12(6-2)21-18-17-15(9-10-26-17)22-19(23-18)24(3)16-8-7-13(25-4)11-14(16)20/h7-12H,5-6H2,1-4H3,(H,21,22,23)
InChIKeyQKGGQHGVQXOBIF-UHFFFAOYSA-N
XLogP5.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.94
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-ethyl-4-methoxy-N-methylaniline
CID 115259322
2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 112750193
4-N-(1-methylsulfanylbutan-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750530
2-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 171393605
2-chloro-4-methoxy-N-(methoxymethyl)-N-methylaniline
CID 115258388
N-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-amine
CID 71193819
N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 62048196
(2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
CID 93033856
(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 121402889
3-N-(2-chloro-4-methoxyphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119564
5-(2-chloro-4-ethoxyphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23595016
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 35790358

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-4-methoxyphenyl)-2-N-methyl-4-N-pentan-3-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-chloro-4-methoxyphenyl)-2-N-methyl-4-N-pentan-3-ylthieno[3,2-d]pyrimidine-2,4-diamine (CID 90983176) is 2-N-(2-chloro-4-methoxyphenyl)-2-N-methyl-4-N-pentan-3-ylthieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-chloro-4-methoxyphenyl)-2-N-methyl-4-N-pentan-3-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-chloro-4-methoxyphenyl)-2-N-methyl-4-N-pentan-3-ylthieno[3,2-d]pyrimidine-2,4-diamine is CCC(CC)Nc1nc(N(C)c2ccc(OC)cc2Cl)nc2ccsc12.
What is the InChIKey of 2-N-(2-chloro-4-methoxyphenyl)-2-N-methyl-4-N-pentan-3-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is QKGGQHGVQXOBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4OS/c1-5-12(6-2)21-18-17-15(9-10-26-17)22-19(23-18)24(3)16-8-7-13(25-4)11-14(16)20/h7-12H,5-6H2,1-4H3,(H,21,22,23).
What are the key properties of 2-N-(2-chloro-4-methoxyphenyl)-2-N-methyl-4-N-pentan-3-ylthieno[3,2-d]pyrimidine-2,4-diamine?
2-N-(2-chloro-4-methoxyphenyl)-2-N-methyl-4-N-pentan-3-ylthieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 390.94 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chloro-4-methoxyphenyl)-2-N-methyl-4-N-pentan-3-ylthieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 90983176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).