5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide

C18H22N6O3S — CID 71177120

IUPAC5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1sc2nc(NC(C)(C)CO)nc(-c3cncc(OC)c3)c2c1N
InChIInChI=1S/C18H22N6O3S/c1-18(2,8-25)24-17-22-13(9-5-10(27-4)7-21-6-9)11-12(19)14(15(26)20-3)28-16(11)23-17/h5-7,25H,8,19H2,1-4H3,(H,20,26)(H,22,23,24)
InChIKeyQYHDZVFIDCEIAW-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.89
Rot. Bonds6

About 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 71177120) has the molecular formula C18H22N6O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID71177120
Molecular FormulaC18H22N6O3S
Molecular Weight402.48 g/mol
Exact Mass402.15
IUPAC Name5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1sc2nc(NC(C)(C)CO)nc(-c3cncc(OC)c3)c2c1N
InChIInChI=1S/C18H22N6O3S/c1-18(2,8-25)24-17-22-13(9-5-10(27-4)7-21-6-9)11-12(19)14(15(26)20-3)28-16(11)23-17/h5-7,25H,8,19H2,1-4H3,(H,20,26)(H,22,23,24)
InChIKeyQYHDZVFIDCEIAW-UHFFFAOYSA-N
XLogP1.89
TPSA135.28 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 71177120) is 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide is CNC(=O)c1sc2nc(NC(C)(C)CO)nc(-c3cncc(OC)c3)c2c1N.
What is the InChIKey of 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QYHDZVFIDCEIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3S/c1-18(2,8-25)24-17-22-13(9-5-10(27-4)7-21-6-9)11-12(19)14(15(26)20-3)28-16(11)23-17/h5-7,25H,8,19H2,1-4H3,(H,20,26)(H,22,23,24).
What are the key properties of 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 1.89, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71177120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).