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

C23H24N6O3S — CID 59647190

IUPAC5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCC(C)(CO)Nc1nc(-c2cncc(OCc3ccccc3)c2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C23H24N6O3S/c1-23(2,12-30)29-22-27-18(16-17(24)19(20(25)31)33-21(16)28-22)14-8-15(10-26-9-14)32-11-13-6-4-3-5-7-13/h3-10,30H,11-12,24H2,1-2H3,(H2,25,31)(H,27,28,29)
InChIKeyKDKHCKPFAHNNDK-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.20
Rot. Bonds8

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

5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 59647190) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID59647190
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC Name5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCC(C)(CO)Nc1nc(-c2cncc(OCc3ccccc3)c2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C23H24N6O3S/c1-23(2,12-30)29-22-27-18(16-17(24)19(20(25)31)33-21(16)28-22)14-8-15(10-26-9-14)32-11-13-6-4-3-5-7-13/h3-10,30H,11-12,24H2,1-2H3,(H2,25,31)(H,27,28,29)
InChIKeyKDKHCKPFAHNNDK-UHFFFAOYSA-N
XLogP3.20
TPSA149.27 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.20
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-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 59647190) is 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide is CC(C)(CO)Nc1nc(-c2cncc(OCc3ccccc3)c2)c2c(N)c(C(N)=O)sc2n1.
What is the InChIKey of 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KDKHCKPFAHNNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-23(2,12-30)29-22-27-18(16-17(24)19(20(25)31)33-21(16)28-22)14-8-15(10-26-9-14)32-11-13-6-4-3-5-7-13/h3-10,30H,11-12,24H2,1-2H3,(H2,25,31)(H,27,28,29).
What are the key properties of 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.20, 8 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-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59647190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).