5-[6-(2-fluoro-5-methoxyphenyl)-2-methyl-4-morpholin-4-yl-1H-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

C22H23FN6O2S — CID 143695017

IUPAC5-[6-(2-fluoro-5-methoxyphenyl)-2-methyl-4-morpholin-4-yl-1H-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCOc1ccc(F)c(-c2cc3c(s2)C(N2CCOCC2)=NC(C)(c2cnc(N)nc2)N3)c1
InChIInChI=1S/C22H23FN6O2S/c1-22(13-11-25-21(24)26-12-13)27-17-10-18(15-9-14(30-2)3-4-16(15)23)32-19(17)20(28-22)29-5-7-31-8-6-29/h3-4,9-12,27H,5-8H2,1-2H3,(H2,24,25,26)
InChIKeyWKDJIOCLTNQPAY-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.31
Rot. Bonds3

About 5-[6-(2-fluoro-5-methoxyphenyl)-2-methyl-4-morpholin-4-yl-1H-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

5-[6-(2-fluoro-5-methoxyphenyl)-2-methyl-4-morpholin-4-yl-1H-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 143695017) has the molecular formula C22H23FN6O2S and a molecular weight of 454.53 g/mol. Its IUPAC name is 5-[6-(2-fluoro-5-methoxyphenyl)-2-methyl-4-morpholin-4-yl-1H-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-(2-fluoro-5-methoxyphenyl)-2-methyl-4-morpholin-4-yl-1H-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
PubChem CID143695017
Molecular FormulaC22H23FN6O2S
Molecular Weight454.53 g/mol
Exact Mass454.16
IUPAC Name5-[6-(2-fluoro-5-methoxyphenyl)-2-methyl-4-morpholin-4-yl-1H-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCOc1ccc(F)c(-c2cc3c(s2)C(N2CCOCC2)=NC(C)(c2cnc(N)nc2)N3)c1
InChIInChI=1S/C22H23FN6O2S/c1-22(13-11-25-21(24)26-12-13)27-17-10-18(15-9-14(30-2)3-4-16(15)23)32-19(17)20(28-22)29-5-7-31-8-6-29/h3-4,9-12,27H,5-8H2,1-2H3,(H2,24,25,26)
InChIKeyWKDJIOCLTNQPAY-UHFFFAOYSA-N
XLogP3.31
TPSA97.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine
CID 164615715
(9E)-12-methyl-15-(2-pyrrolidin-1-ylethoxy)-7-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene
CID 16739905
(9E)-15-(2-methoxyethoxy)-12-methyl-7-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene
CID 16739921
(9E)-15-(2-pyrrolidin-1-ylethoxy)-7,12-dioxa-26-thia-19,21,24-triazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene
CID 16750291
6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 3234363
4-[5-methoxy-3-(2-methoxypyrimidin-5-yl)-1-benzothiophen-2-yl]-N,N-dimethylaniline
CID 44142491
4-[5-[5-Methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]pyrimidin-2-yl]morpholine
CID 53301493
N4-[3-(dimethylamino)propyl]-6-(6-methoxy-3-pyridyl)-N2-methyl-thieno[3,2-d]pyrimidine-2,4-diamine
CID 76325260
N-[1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 155518660
11-benzyl-N-(4-fluoro-2-methoxyphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
CID 155519145
N-(4-fluoro-2-methoxyphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
CID 155542746
5-chloro-2-N-[2-methoxy-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidine-2,4-diamine
CID 129120340

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-fluoro-5-methoxyphenyl)-2-methyl-4-morpholin-4-yl-1H-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[6-(2-fluoro-5-methoxyphenyl)-2-methyl-4-morpholin-4-yl-1H-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (CID 143695017) is 5-[6-(2-fluoro-5-methoxyphenyl)-2-methyl-4-morpholin-4-yl-1H-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[6-(2-fluoro-5-methoxyphenyl)-2-methyl-4-morpholin-4-yl-1H-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[6-(2-fluoro-5-methoxyphenyl)-2-methyl-4-morpholin-4-yl-1H-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is COc1ccc(F)c(-c2cc3c(s2)C(N2CCOCC2)=NC(C)(c2cnc(N)nc2)N3)c1.
What is the InChIKey of 5-[6-(2-fluoro-5-methoxyphenyl)-2-methyl-4-morpholin-4-yl-1H-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The InChIKey is WKDJIOCLTNQPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2S/c1-22(13-11-25-21(24)26-12-13)27-17-10-18(15-9-14(30-2)3-4-16(15)23)32-19(17)20(28-22)29-5-7-31-8-6-29/h3-4,9-12,27H,5-8H2,1-2H3,(H2,24,25,26).
What are the key properties of 5-[6-(2-fluoro-5-methoxyphenyl)-2-methyl-4-morpholin-4-yl-1H-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
5-[6-(2-fluoro-5-methoxyphenyl)-2-methyl-4-morpholin-4-yl-1H-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 454.53 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-fluoro-5-methoxyphenyl)-2-methyl-4-morpholin-4-yl-1H-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 143695017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).