N-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride

C20H18ClN3OS — CID 18593654

IUPACN-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(Nc2ncnc3sc(C)c(-c4ccccc4)c23)cc1.Cl
InChIInChI=1S/C20H17N3OS.ClH/c1-13-17(14-6-4-3-5-7-14)18-19(21-12-22-20(18)25-13)23-15-8-10-16(24-2)11-9-15;/h3-12H,1-2H3,(H,21,22,23);1H
InChIKeyWSJDHJWUPRNHSC-UHFFFAOYSA-N
MW383.90 g/mol
LogP5.84
Rot. Bonds4

About N-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride

N-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 18593654) has the molecular formula C20H18ClN3OS and a molecular weight of 383.90 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID18593654
Molecular FormulaC20H18ClN3OS
Molecular Weight383.90 g/mol
Exact Mass383.09
IUPAC NameN-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(Nc2ncnc3sc(C)c(-c4ccccc4)c23)cc1.Cl
InChIInChI=1S/C20H17N3OS.ClH/c1-13-17(14-6-4-3-5-7-14)18-19(21-12-22-20(18)25-13)23-15-8-10-16(24-2)11-9-15;/h3-12H,1-2H3,(H,21,22,23);1H
InChIKeyWSJDHJWUPRNHSC-UHFFFAOYSA-N
XLogP5.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.90
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
CID 21009471
5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010171
6-methyl-N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 1193255
3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 21009748
(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 735300
5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 757216
4-N,4-N-dimethyl-1-N-[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 21012140
1-N-[5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 21009360
5-(4-chlorophenyl)-6-methyl-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21012285
N-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009720
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
methyl 4-[[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21012237

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride (CID 18593654) is N-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride is COc1ccc(Nc2ncnc3sc(C)c(-c4ccccc4)c23)cc1.Cl.
What is the InChIKey of N-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is WSJDHJWUPRNHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS.ClH/c1-13-17(14-6-4-3-5-7-14)18-19(21-12-22-20(18)25-13)23-15-8-10-16(24-2)11-9-15;/h3-12H,1-2H3,(H,21,22,23);1H.
What are the key properties of N-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
N-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 383.90 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 18593654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).