5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine

C18H15ClN6O3 — CID 89460767

IUPAC5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1[nH]c2nc(Oc3cncnc3)nc(Oc3cncc(OC)c3)c2c1Cl
InChIInChI=1S/C18H15ClN6O3/c1-3-13-15(19)14-16(23-13)24-18(28-12-7-21-9-22-8-12)25-17(14)27-11-4-10(26-2)5-20-6-11/h4-9H,3H2,1-2H3,(H,23,24,25)
InChIKeyUOXQCJROWOHEFC-UHFFFAOYSA-N
MW398.81 g/mol
LogP3.95
Rot. Bonds6

About 5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine

5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 89460767) has the molecular formula C18H15ClN6O3 and a molecular weight of 398.81 g/mol. Its IUPAC name is 5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID89460767
Molecular FormulaC18H15ClN6O3
Molecular Weight398.81 g/mol
Exact Mass398.09
IUPAC Name5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1[nH]c2nc(Oc3cncnc3)nc(Oc3cncc(OC)c3)c2c1Cl
InChIInChI=1S/C18H15ClN6O3/c1-3-13-15(19)14-16(23-13)24-18(28-12-7-21-9-22-8-12)25-17(14)27-11-4-10(26-2)5-20-6-11/h4-9H,3H2,1-2H3,(H,23,24,25)
InChIKeyUOXQCJROWOHEFC-UHFFFAOYSA-N
XLogP3.95
TPSA107.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-6-ethyl-2-[(5-ethyl-3-pyridinyl)oxy]-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine
CID 140893593
5-[(5-chloro-6-ethyl-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]pyridine-3-carbonitrile
CID 126562613
7-[[5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]quinolin-4-amine
CID 126551097
3-[[5-chloro-6-ethyl-4-[(Z)-2-(3-methoxyphenyl)ethenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]benzonitrile
CID 89460864
5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine
CID 89460698
3-[[4-[1,1-bis(hydroxyamino)ethyl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]benzonitrile
CID 89460896
1-[1-[5-chloro-6-ethyl-2-(2-methylpyrimidin-5-yl)oxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]-N,N-dimethylmethanamine
CID 126551249
6-[(5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]quinoxaline
CID 89461001
N-[3-(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 89460612
3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 71718200
5-[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]pyrimidine-2-carboxamide
CID 89460987
4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80878172

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine (CID 89460767) is 5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine is CCc1[nH]c2nc(Oc3cncnc3)nc(Oc3cncc(OC)c3)c2c1Cl.
What is the InChIKey of 5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is UOXQCJROWOHEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O3/c1-3-13-15(19)14-16(23-13)24-18(28-12-7-21-9-22-8-12)25-17(14)27-11-4-10(26-2)5-20-6-11/h4-9H,3H2,1-2H3,(H,23,24,25).
What are the key properties of 5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine?
5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 398.81 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 89460767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).