2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol

C14H18ClN3O3S — CID 86624221

IUPAC2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol
SMILESCOCC(C)(O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1
InChIInChI=1S/C14H18ClN3O3S/c1-14(19,8-20-2)10-7-9-11(22-10)12(17-13(15)16-9)18-3-5-21-6-4-18/h7,19H,3-6,8H2,1-2H3
InChIKeyWJFCDQHVVDEGLR-UHFFFAOYSA-N
MW343.84 g/mol
LogP2.04
Rot. Bonds4

About 2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol

2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol (PubChem CID 86624221) has the molecular formula C14H18ClN3O3S and a molecular weight of 343.84 g/mol. Its IUPAC name is 2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol.

Molecular Properties

Compound Name2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol
PubChem CID86624221
Molecular FormulaC14H18ClN3O3S
Molecular Weight343.84 g/mol
Exact Mass343.08
IUPAC Name2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol
SMILESCOCC(C)(O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1
InChIInChI=1S/C14H18ClN3O3S/c1-14(19,8-20-2)10-7-9-11(22-10)12(17-13(15)16-9)18-3-5-21-6-4-18/h7,19H,3-6,8H2,1-2H3
InChIKeyWJFCDQHVVDEGLR-UHFFFAOYSA-N
XLogP2.04
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 66553795
4-[2-chloro-6-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 57494043
2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol
CID 57493976
tert-butyl 4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazine-1-carboxylate
CID 57494058
2-[2-(5-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
CID 59829481
N-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propanamide
CID 86618387
4-[2-chloro-6-[[3-(methoxymethyl)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 57494038
4-(2-chloro-6-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 138682176
1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine
CID 57493974
4-[2-chloro-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86618427
4-[2-chloro-6-(2-methoxypropan-2-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 86624263
4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 169032599

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol?
The IUPAC name of 2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol (CID 86624221) is 2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol.
What is the SMILES notation for 2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol?
The canonical SMILES for 2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol is COCC(C)(O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1.
What is the InChIKey of 2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol?
The InChIKey is WJFCDQHVVDEGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3S/c1-14(19,8-20-2)10-7-9-11(22-10)12(17-13(15)16-9)18-3-5-21-6-4-18/h7,19H,3-6,8H2,1-2H3.
What are the key properties of 2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol?
2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol has a molecular weight of 343.84 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol is sourced from PubChem (CID 86624221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).