N-(2-hydroxy-2-methylpropyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide

C18H21N5O2S — CID 142540220

IUPACN-(2-hydroxy-2-methylpropyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESC[C@H](Nc1nc(C(=O)NCC(C)(C)O)c2sccc2n1)c1ccccn1
InChIInChI=1S/C18H21N5O2S/c1-11(12-6-4-5-8-19-12)21-17-22-13-7-9-26-15(13)14(23-17)16(24)20-10-18(2,3)25/h4-9,11,25H,10H2,1-3H3,(H,20,24)(H,21,22,23)/t11-/m0/s1
InChIKeyGYIARIXIXQLQPC-NSHDSACASA-N
MW371.47 g/mol
LogP2.76
Rot. Bonds6

About N-(2-hydroxy-2-methylpropyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide

N-(2-hydroxy-2-methylpropyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 142540220) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID142540220
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-(2-hydroxy-2-methylpropyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESC[C@H](Nc1nc(C(=O)NCC(C)(C)O)c2sccc2n1)c1ccccn1
InChIInChI=1S/C18H21N5O2S/c1-11(12-6-4-5-8-19-12)21-17-22-13-7-9-26-15(13)14(23-17)16(24)20-10-18(2,3)25/h4-9,11,25H,10H2,1-3H3,(H,20,24)(H,21,22,23)/t11-/m0/s1
InChIKeyGYIARIXIXQLQPC-NSHDSACASA-N
XLogP2.76
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide (CID 142540220) is N-(2-hydroxy-2-methylpropyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide is C[C@H](Nc1nc(C(=O)NCC(C)(C)O)c2sccc2n1)c1ccccn1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is GYIARIXIXQLQPC-NSHDSACASA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-11(12-6-4-5-8-19-12)21-17-22-13-7-9-26-15(13)14(23-17)16(24)20-10-18(2,3)25/h4-9,11,25H,10H2,1-3H3,(H,20,24)(H,21,22,23)/t11-/m0/s1.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
N-(2-hydroxy-2-methylpropyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 142540220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).