N-[(2S)-2-hydroxypropyl]-6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide

C18H21N5O2S — CID 142540389

IUPACN-[(2S)-2-hydroxypropyl]-6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCc1cc2nc(N[C@@H](C)c3ccccn3)nc(C(=O)NC[C@H](C)O)c2s1
InChIInChI=1S/C18H21N5O2S/c1-10(24)9-20-17(25)15-16-14(8-11(2)26-16)22-18(23-15)21-12(3)13-6-4-5-7-19-13/h4-8,10,12,24H,9H2,1-3H3,(H,20,25)(H,21,22,23)/t10-,12-/m0/s1
InChIKeyIKAXSUJYYPQGDU-JQWIXIFHSA-N
MW371.47 g/mol
LogP2.68
Rot. Bonds6

About N-[(2S)-2-hydroxypropyl]-6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide

N-[(2S)-2-hydroxypropyl]-6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 142540389) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID142540389
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-[(2S)-2-hydroxypropyl]-6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCc1cc2nc(N[C@@H](C)c3ccccn3)nc(C(=O)NC[C@H](C)O)c2s1
InChIInChI=1S/C18H21N5O2S/c1-10(24)9-20-17(25)15-16-14(8-11(2)26-16)22-18(23-15)21-12(3)13-6-4-5-7-19-13/h4-8,10,12,24H,9H2,1-3H3,(H,20,25)(H,21,22,23)/t10-,12-/m0/s1
InChIKeyIKAXSUJYYPQGDU-JQWIXIFHSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide (CID 142540389) is N-[(2S)-2-hydroxypropyl]-6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide is Cc1cc2nc(N[C@@H](C)c3ccccn3)nc(C(=O)NC[C@H](C)O)c2s1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is IKAXSUJYYPQGDU-JQWIXIFHSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-10(24)9-20-17(25)15-16-14(8-11(2)26-16)22-18(23-15)21-12(3)13-6-4-5-7-19-13/h4-8,10,12,24H,9H2,1-3H3,(H,20,25)(H,21,22,23)/t10-,12-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
N-[(2S)-2-hydroxypropyl]-6-methyl-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 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 142540389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).