N-(2-hydroxypropyl)-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

C19H23N5O3S — CID 58413307

IUPACN-(2-hydroxypropyl)-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC(C)O)sc2ncnc(Nc3cccnc3OC(C)C)c12
InChIInChI=1S/C19H23N5O3S/c1-10(2)27-18-13(6-5-7-20-18)24-16-14-12(4)15(17(26)21-8-11(3)25)28-19(14)23-9-22-16/h5-7,9-11,25H,8H2,1-4H3,(H,21,26)(H,22,23,24)
InChIKeyMSBNKIBYHBEIEQ-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.04
Rot. Bonds7

About N-(2-hydroxypropyl)-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

N-(2-hydroxypropyl)-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 58413307) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID58413307
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC NameN-(2-hydroxypropyl)-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC(C)O)sc2ncnc(Nc3cccnc3OC(C)C)c12
InChIInChI=1S/C19H23N5O3S/c1-10(2)27-18-13(6-5-7-20-18)24-16-14-12(4)15(17(26)21-8-11(3)25)28-19(14)23-9-22-16/h5-7,9-11,25H,8H2,1-4H3,(H,21,26)(H,22,23,24)
InChIKeyMSBNKIBYHBEIEQ-UHFFFAOYSA-N
XLogP3.04
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 58413307) is N-(2-hydroxypropyl)-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCC(C)O)sc2ncnc(Nc3cccnc3OC(C)C)c12.
What is the InChIKey of N-(2-hydroxypropyl)-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MSBNKIBYHBEIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-10(2)27-18-13(6-5-7-20-18)24-16-14-12(4)15(17(26)21-8-11(3)25)28-19(14)23-9-22-16/h5-7,9-11,25H,8H2,1-4H3,(H,21,26)(H,22,23,24).
What are the key properties of N-(2-hydroxypropyl)-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
N-(2-hydroxypropyl)-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 58413307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).