5-amino-4-(2-fluoro-5-methoxyphenyl)-2-(pentan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide

C19H22FN5O2S — CID 143513299

IUPAC5-amino-4-(2-fluoro-5-methoxyphenyl)-2-(pentan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCC(C)Nc1nc(-c2cc(OC)ccc2F)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C19H22FN5O2S/c1-4-5-9(2)23-19-24-15(11-8-10(27-3)6-7-12(11)20)13-14(21)16(17(22)26)28-18(13)25-19/h6-9H,4-5,21H2,1-3H3,(H2,22,26)(H,23,24,25)
InChIKeyYHPCEZCTIICRFL-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.79
Rot. Bonds7

About 5-amino-4-(2-fluoro-5-methoxyphenyl)-2-(pentan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-4-(2-fluoro-5-methoxyphenyl)-2-(pentan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 143513299) has the molecular formula C19H22FN5O2S and a molecular weight of 403.48 g/mol. Its IUPAC name is 5-amino-4-(2-fluoro-5-methoxyphenyl)-2-(pentan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(2-fluoro-5-methoxyphenyl)-2-(pentan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID143513299
Molecular FormulaC19H22FN5O2S
Molecular Weight403.48 g/mol
Exact Mass403.15
IUPAC Name5-amino-4-(2-fluoro-5-methoxyphenyl)-2-(pentan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCC(C)Nc1nc(-c2cc(OC)ccc2F)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C19H22FN5O2S/c1-4-5-9(2)23-19-24-15(11-8-10(27-3)6-7-12(11)20)13-14(21)16(17(22)26)28-18(13)25-19/h6-9H,4-5,21H2,1-3H3,(H2,22,26)(H,23,24,25)
InChIKeyYHPCEZCTIICRFL-UHFFFAOYSA-N
XLogP3.79
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-fluoro-5-methoxyphenyl)-2-(pentan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-(2-fluoro-5-methoxyphenyl)-2-(pentan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 143513299) is 5-amino-4-(2-fluoro-5-methoxyphenyl)-2-(pentan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(2-fluoro-5-methoxyphenyl)-2-(pentan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-(2-fluoro-5-methoxyphenyl)-2-(pentan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide is CCCC(C)Nc1nc(-c2cc(OC)ccc2F)c2c(N)c(C(N)=O)sc2n1.
What is the InChIKey of 5-amino-4-(2-fluoro-5-methoxyphenyl)-2-(pentan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YHPCEZCTIICRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2S/c1-4-5-9(2)23-19-24-15(11-8-10(27-3)6-7-12(11)20)13-14(21)16(17(22)26)28-18(13)25-19/h6-9H,4-5,21H2,1-3H3,(H2,22,26)(H,23,24,25).
What are the key properties of 5-amino-4-(2-fluoro-5-methoxyphenyl)-2-(pentan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-(2-fluoro-5-methoxyphenyl)-2-(pentan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-fluoro-5-methoxyphenyl)-2-(pentan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 143513299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).