5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidine-6-carboxamide

C31H33N11O3S2 — CID 143513626

IUPAC5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(C)Nc1nc(Nc2ccccc2)c2c(N)c(C(N)=O)sc2n1.COc1cncc(-c2nc(C)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C17H20N6OS.C14H13N5O2S/c1-3-9(2)20-17-22-15(21-10-7-5-4-6-8-10)11-12(18)13(14(19)24)25-16(11)23-17;1-6-18-11(7-3-8(21-2)5-17-4-7)9-10(15)12(13(16)20)22-14(9)19-6/h4-9H,3,18H2,1-2H3,(H2,19,24)(H2,20,21,22,23);3-5H,15H2,1-2H3,(H2,16,20)
InChIKeyLOVVQTGKFWNGKH-UHFFFAOYSA-N
MW671.81 g/mol
LogP5.08
Rot. Bonds9

About 5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 143513626) has the molecular formula C31H33N11O3S2 and a molecular weight of 671.81 g/mol. Its IUPAC name is 5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID143513626
Molecular FormulaC31H33N11O3S2
Molecular Weight671.81 g/mol
Exact Mass671.22
IUPAC Name5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(C)Nc1nc(Nc2ccccc2)c2c(N)c(C(N)=O)sc2n1.COc1cncc(-c2nc(C)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C17H20N6OS.C14H13N5O2S/c1-3-9(2)20-17-22-15(21-10-7-5-4-6-8-10)11-12(18)13(14(19)24)25-16(11)23-17;1-6-18-11(7-3-8(21-2)5-17-4-7)9-10(15)12(13(16)20)22-14(9)19-6/h4-9H,3,18H2,1-2H3,(H2,19,24)(H2,20,21,22,23);3-5H,15H2,1-2H3,(H2,16,20)
InChIKeyLOVVQTGKFWNGKH-UHFFFAOYSA-N
XLogP5.08
TPSA235.96 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500671.81
LogP ≤ 55.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 143513626) is 5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidine-6-carboxamide is CCC(C)Nc1nc(Nc2ccccc2)c2c(N)c(C(N)=O)sc2n1.COc1cncc(-c2nc(C)nc3sc(C(N)=O)c(N)c23)c1.
What is the InChIKey of 5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LOVVQTGKFWNGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS.C14H13N5O2S/c1-3-9(2)20-17-22-15(21-10-7-5-4-6-8-10)11-12(18)13(14(19)24)25-16(11)23-17;1-6-18-11(7-3-8(21-2)5-17-4-7)9-10(15)12(13(16)20)22-14(9)19-6/h4-9H,3,18H2,1-2H3,(H2,19,24)(H2,20,21,22,23);3-5H,15H2,1-2H3,(H2,16,20).
What are the key properties of 5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 671.81 g/mol, XLogP of 5.08, 9 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 143513626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).