7-(4-fluoro-2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine

C27H30FN5O2S — CID 150196230

IUPAC7-(4-fluoro-2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(F)ccc1-c1csc2cnc(Nc3ccc(N4CCN(C)CC4)cc3OC(C)C)nc12
InChIInChI=1S/C27H30FN5O2S/c1-17(2)35-24-14-19(33-11-9-32(3)10-12-33)6-8-22(24)30-27-29-15-25-26(31-27)21(16-36-25)20-7-5-18(28)13-23(20)34-4/h5-8,13-17H,9-12H2,1-4H3,(H,29,30,31)
InChIKeyFOMYWYIMYFINGE-UHFFFAOYSA-N
MW507.64 g/mol
LogP5.79
Rot. Bonds7

About 7-(4-fluoro-2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine

7-(4-fluoro-2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine (PubChem CID 150196230) has the molecular formula C27H30FN5O2S and a molecular weight of 507.64 g/mol. Its IUPAC name is 7-(4-fluoro-2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(4-fluoro-2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine
PubChem CID150196230
Molecular FormulaC27H30FN5O2S
Molecular Weight507.64 g/mol
Exact Mass507.21
IUPAC Name7-(4-fluoro-2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(F)ccc1-c1csc2cnc(Nc3ccc(N4CCN(C)CC4)cc3OC(C)C)nc12
InChIInChI=1S/C27H30FN5O2S/c1-17(2)35-24-14-19(33-11-9-32(3)10-12-33)6-8-22(24)30-27-29-15-25-26(31-27)21(16-36-25)20-7-5-18(28)13-23(20)34-4/h5-8,13-17H,9-12H2,1-4H3,(H,29,30,31)
InChIKeyFOMYWYIMYFINGE-UHFFFAOYSA-N
XLogP5.79
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(4-fluoro-2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine
CID 164615715
2-[4-(1-Methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 71747733
(3S)-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]piperidine-3-carboxamide
CID 162662497
N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]piperidine-4-carboxamide
CID 162663181
7-[2-[4-(4-ethylpiperazin-1-yl)-2-methoxyanilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one
CID 162670671
N-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]phenyl]-7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine
CID 162671108
2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide
CID 162674736
7-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one
CID 162676665
(3R)-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]piperidine-3-carboxamide
CID 162677408
N-[3-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 52931724
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-8-methyl-9-thiophen-3-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 68060144
7-(2-Methoxy-3-pyridinyl)-2-[5-methyl-4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyanilino]thieno[3,2-d]pyrimidine-6-carboxamide
CID 71747029

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine (CID 150196230) is 7-(4-fluoro-2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(4-fluoro-2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-(4-fluoro-2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine is COc1cc(F)ccc1-c1csc2cnc(Nc3ccc(N4CCN(C)CC4)cc3OC(C)C)nc12.
What is the InChIKey of 7-(4-fluoro-2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is FOMYWYIMYFINGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O2S/c1-17(2)35-24-14-19(33-11-9-32(3)10-12-33)6-8-22(24)30-27-29-15-25-26(31-27)21(16-36-25)20-7-5-18(28)13-23(20)34-4/h5-8,13-17H,9-12H2,1-4H3,(H,29,30,31).
What are the key properties of 7-(4-fluoro-2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine?
7-(4-fluoro-2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 507.64 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 150196230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).