4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine

C12H18ClN5O2 — CID 103536614

IUPAC4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine
SMILESCOC1CCN(c2nc(Cl)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C12H18ClN5O2/c1-19-9-2-3-18(8-9)12-15-10(13)14-11(16-12)17-4-6-20-7-5-17/h9H,2-8H2,1H3
InChIKeyJODRDCCGOWHURT-UHFFFAOYSA-N
MW299.76 g/mol
LogP0.59
Rot. Bonds3

About 4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine

4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine (PubChem CID 103536614) has the molecular formula C12H18ClN5O2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine
PubChem CID103536614
Molecular FormulaC12H18ClN5O2
Molecular Weight299.76 g/mol
Exact Mass299.11
IUPAC Name4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine
SMILESCOC1CCN(c2nc(Cl)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C12H18ClN5O2/c1-19-9-2-3-18(8-9)12-15-10(13)14-11(16-12)17-4-6-20-7-5-17/h9H,2-8H2,1H3
InChIKeyJODRDCCGOWHURT-UHFFFAOYSA-N
XLogP0.59
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine
CID 62869567
[1-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
CID 115965991
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine
CID 62869818
4-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine
CID 63171298
4-[4-chloro-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 62869868
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride
CID 173009515
5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 126853062
(3R)-4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-methylmorpholine
CID 138660464
4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine
CID 62863161
4-[4-chloro-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 62868686
4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62868206

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine (CID 103536614) is 4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine is COC1CCN(c2nc(Cl)nc(N3CCOCC3)n2)C1.
What is the InChIKey of 4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is JODRDCCGOWHURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O2/c1-19-9-2-3-18(8-9)12-15-10(13)14-11(16-12)17-4-6-20-7-5-17/h9H,2-8H2,1H3.
What are the key properties of 4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine?
4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 299.76 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 103536614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).