4-[2-chloro-6-(diethoxyphosphorylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine

C15H21ClN3O4PS — CID 56833948

IUPAC4-[2-chloro-6-(diethoxyphosphorylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESCCOP(=O)(Cc1cc2c(N3CCOCC3)nc(Cl)nc2s1)OCC
InChIInChI=1S/C15H21ClN3O4PS/c1-3-22-24(20,23-4-2)10-11-9-12-13(19-5-7-21-8-6-19)17-15(16)18-14(12)25-11/h9H,3-8,10H2,1-2H3
InChIKeyOZBQGRCKVVMVPP-UHFFFAOYSA-N
MW405.84 g/mol
LogP3.95
Rot. Bonds7

About 4-[2-chloro-6-(diethoxyphosphorylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine

4-[2-chloro-6-(diethoxyphosphorylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 56833948) has the molecular formula C15H21ClN3O4PS and a molecular weight of 405.84 g/mol. Its IUPAC name is 4-[2-chloro-6-(diethoxyphosphorylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-6-(diethoxyphosphorylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID56833948
Molecular FormulaC15H21ClN3O4PS
Molecular Weight405.84 g/mol
Exact Mass405.07
IUPAC Name4-[2-chloro-6-(diethoxyphosphorylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESCCOP(=O)(Cc1cc2c(N3CCOCC3)nc(Cl)nc2s1)OCC
InChIInChI=1S/C15H21ClN3O4PS/c1-3-22-24(20,23-4-2)10-11-9-12-13(19-5-7-21-8-6-19)17-15(16)18-14(12)25-11/h9H,3-8,10H2,1-2H3
InChIKeyOZBQGRCKVVMVPP-UHFFFAOYSA-N
XLogP3.95
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-(2,6-dichlorothieno[2,3-d]pyrimidin-4-yl)morpholine
CID 86624262
4-[2-chloro-6-(2-methoxypropan-2-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 86624263
1-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)ethanamine
CID 91607698
(2S)-1-[4-[(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 86623521
4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 86618371
N-[3-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide
CID 87669032
(2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
CID 93213873
4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103322436
1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 103321619
4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 130547955
4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine
CID 103320672
4-(2,5-dichloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 25255100

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-(diethoxyphosphorylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-chloro-6-(diethoxyphosphorylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (CID 56833948) is 4-[2-chloro-6-(diethoxyphosphorylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-6-(diethoxyphosphorylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-chloro-6-(diethoxyphosphorylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is CCOP(=O)(Cc1cc2c(N3CCOCC3)nc(Cl)nc2s1)OCC.
What is the InChIKey of 4-[2-chloro-6-(diethoxyphosphorylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is OZBQGRCKVVMVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN3O4PS/c1-3-22-24(20,23-4-2)10-11-9-12-13(19-5-7-21-8-6-19)17-15(16)18-14(12)25-11/h9H,3-8,10H2,1-2H3.
What are the key properties of 4-[2-chloro-6-(diethoxyphosphorylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
4-[2-chloro-6-(diethoxyphosphorylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 405.84 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-(diethoxyphosphorylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 56833948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).