N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-[2-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine

C27H31N5OS — CID 67327461

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-7-[2-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCCN1CCN(c2ccc(Nc3ncnc4c(CCc5ccc(OC)cc5)csc34)cc2)CC1
InChIInChI=1S/C27H31N5OS/c1-3-31-14-16-32(17-15-31)23-10-8-22(9-11-23)30-27-26-25(28-19-29-27)21(18-34-26)7-4-20-5-12-24(33-2)13-6-20/h5-6,8-13,18-19H,3-4,7,14-17H2,1-2H3,(H,28,29,30)
InChIKeyDJJFSTJIOKRFHB-UHFFFAOYSA-N
MW473.65 g/mol
LogP5.37
Rot. Bonds8

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-[2-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine

N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-[2-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 67327461) has the molecular formula C27H31N5OS and a molecular weight of 473.65 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-[2-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-7-[2-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID67327461
Molecular FormulaC27H31N5OS
Molecular Weight473.65 g/mol
Exact Mass473.22
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-7-[2-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCCN1CCN(c2ccc(Nc3ncnc4c(CCc5ccc(OC)cc5)csc34)cc2)CC1
InChIInChI=1S/C27H31N5OS/c1-3-31-14-16-32(17-15-31)23-10-8-22(9-11-23)30-27-26-25(28-19-29-27)21(18-34-26)7-4-20-5-12-24(33-2)13-6-20/h5-6,8-13,18-19H,3-4,7,14-17H2,1-2H3,(H,28,29,30)
InChIKeyDJJFSTJIOKRFHB-UHFFFAOYSA-N
XLogP5.37
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.65
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

7-[(E)-2-(4-aminonaphthalen-1-yl)ethenyl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine
CID 67328636
3-[2-(3,5-dimethoxyphenyl)ethyl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]triazolo[4,5-d]pyrimidin-7-amine
CID 155806641
N-cyclopropyl-4-[(E)-2-[4-[4-(4-ethylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]ethenyl]benzamide
CID 53358181
6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine
CID 23490321
2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 66669998
2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine
CID 16820881
N-(4-bromo-2,6-dichloro-3-methoxy-5-methylphenyl)-4-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]anilino]thieno[3,2-d]pyrimidine-7-carboxamide
CID 89252809
N-(4-ethoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 23490872
5-[2-[2-chloro-3-methoxy-5-[(methoxyamino)methyl]phenyl]ethyl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 123156557
4-[4-(4-ethylpiperazin-1-yl)anilino]-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 53345320
4-[4-(4-ethylpiperazin-1-yl)-2-propan-2-yloxyanilino]-N-(2,4,6-trichloro-3,5-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 87357687
6-N-[(4-methoxyphenyl)methyl]-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112860298

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-[2-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-[2-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine (CID 67327461) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-[2-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-[2-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-[2-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine is CCN1CCN(c2ccc(Nc3ncnc4c(CCc5ccc(OC)cc5)csc34)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-[2-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is DJJFSTJIOKRFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5OS/c1-3-31-14-16-32(17-15-31)23-10-8-22(9-11-23)30-27-26-25(28-19-29-27)21(18-34-26)7-4-20-5-12-24(33-2)13-6-20/h5-6,8-13,18-19H,3-4,7,14-17H2,1-2H3,(H,28,29,30).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-[2-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-[2-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 473.65 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-[2-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 67327461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).