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

C12H18ClN5O2 — CID 63171298

IUPAC4-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine
SMILESCOc1nc(Cl)nc(N2CCC(N3CCOCC3)C2)n1
InChIInChI=1S/C12H18ClN5O2/c1-19-12-15-10(13)14-11(16-12)18-3-2-9(8-18)17-4-6-20-7-5-17/h9H,2-8H2,1H3
InChIKeyJDHZQPTWAPLISB-UHFFFAOYSA-N
MW299.76 g/mol
LogP0.44
Rot. Bonds3

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

4-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine (PubChem CID 63171298) has the molecular formula C12H18ClN5O2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine
PubChem CID63171298
Molecular FormulaC12H18ClN5O2
Molecular Weight299.76 g/mol
Exact Mass299.11
IUPAC Name4-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine
SMILESCOc1nc(Cl)nc(N2CCC(N3CCOCC3)C2)n1
InChIInChI=1S/C12H18ClN5O2/c1-19-12-15-10(13)14-11(16-12)18-3-2-9(8-18)17-4-6-20-7-5-17/h9H,2-8H2,1H3
InChIKeyJDHZQPTWAPLISB-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]morpholine
CID 172905606
4-chloro-N,N-dimethyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 63171342
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride
CID 173009515
1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine
CID 63595725
2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine
CID 50956205
4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 103536614
4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine
CID 62869818
4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 63171122
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62857822
N-[4-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 173062863
4-[4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-yl]morpholine
CID 62870302
4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-dimethylmorpholine
CID 55124122

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine (CID 63171298) is 4-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine is COc1nc(Cl)nc(N2CCC(N3CCOCC3)C2)n1.
What is the InChIKey of 4-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine?
The InChIKey is JDHZQPTWAPLISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O2/c1-19-12-15-10(13)14-11(16-12)18-3-2-9(8-18)17-4-6-20-7-5-17/h9H,2-8H2,1H3.
What are the key properties of 4-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine?
4-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine has a molecular weight of 299.76 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 63171298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).