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

C12H18ClN5O2 — CID 115965991

IUPAC[1-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2nc(Cl)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C12H18ClN5O2/c13-10-14-11(17-3-5-20-6-4-17)16-12(15-10)18-2-1-9(7-18)8-19/h9,19H,1-8H2
InChIKeyCCWLCULTEWTCRI-UHFFFAOYSA-N
MW299.76 g/mol
LogP0.18
Rot. Bonds3

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

[1-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol (PubChem CID 115965991) has the molecular formula C12H18ClN5O2 and a molecular weight of 299.76 g/mol. Its IUPAC name is [1-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
PubChem CID115965991
Molecular FormulaC12H18ClN5O2
Molecular Weight299.76 g/mol
Exact Mass299.11
IUPAC Name[1-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2nc(Cl)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C12H18ClN5O2/c13-10-14-11(17-3-5-20-6-4-17)16-12(15-10)18-2-1-9(7-18)8-19/h9,19H,1-8H2
InChIKeyCCWLCULTEWTCRI-UHFFFAOYSA-N
XLogP0.18
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol (CID 115965991) is [1-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol is OCC1CCN(c2nc(Cl)nc(N3CCOCC3)n2)C1.
What is the InChIKey of [1-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol?
The InChIKey is CCWLCULTEWTCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O2/c13-10-14-11(17-3-5-20-6-4-17)16-12(15-10)18-2-1-9(7-18)8-19/h9,19H,1-8H2.
What are the key properties of [1-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol?
[1-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol has a molecular weight of 299.76 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 115965991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).