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

C18H21N5O3S — CID 142540089

IUPACN-[(2R)-2-hydroxypropyl]-2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCOC[C@@H](Nc1nc(C(=O)NC[C@@H](C)O)c2sccc2n1)c1cccnc1
InChIInChI=1S/C18H21N5O3S/c1-11(24)8-20-17(25)15-16-13(5-7-27-16)21-18(23-15)22-14(10-26-2)12-4-3-6-19-9-12/h3-7,9,11,14,24H,8,10H2,1-2H3,(H,20,25)(H,21,22,23)/t11-,14-/m1/s1
InChIKeyUZYWCRUJGXZFRT-BXUZGUMPSA-N
MW387.47 g/mol
LogP2.00
Rot. Bonds8

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

N-[(2R)-2-hydroxypropyl]-2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 142540089) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID142540089
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-[(2R)-2-hydroxypropyl]-2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCOC[C@@H](Nc1nc(C(=O)NC[C@@H](C)O)c2sccc2n1)c1cccnc1
InChIInChI=1S/C18H21N5O3S/c1-11(24)8-20-17(25)15-16-13(5-7-27-16)21-18(23-15)22-14(10-26-2)12-4-3-6-19-9-12/h3-7,9,11,14,24H,8,10H2,1-2H3,(H,20,25)(H,21,22,23)/t11-,14-/m1/s1
InChIKeyUZYWCRUJGXZFRT-BXUZGUMPSA-N
XLogP2.00
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide (CID 142540089) is N-[(2R)-2-hydroxypropyl]-2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide is COC[C@@H](Nc1nc(C(=O)NC[C@@H](C)O)c2sccc2n1)c1cccnc1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is UZYWCRUJGXZFRT-BXUZGUMPSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-11(24)8-20-17(25)15-16-13(5-7-27-16)21-18(23-15)22-14(10-26-2)12-4-3-6-19-9-12/h3-7,9,11,14,24H,8,10H2,1-2H3,(H,20,25)(H,21,22,23)/t11-,14-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
N-[(2R)-2-hydroxypropyl]-2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 142540089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).