[(3R)-4-[4-(1,3,5-triazin-2-ylamino)phenyl]morpholin-3-yl]methanol

C14H17N5O2 — CID 174854096

IUPAC[(3R)-4-[4-(1,3,5-triazin-2-ylamino)phenyl]morpholin-3-yl]methanol
SMILESOC[C@@H]1COCCN1c1ccc(Nc2ncncn2)cc1
InChIInChI=1S/C14H17N5O2/c20-7-13-8-21-6-5-19(13)12-3-1-11(2-4-12)18-14-16-9-15-10-17-14/h1-4,9-10,13,20H,5-8H2,(H,15,16,17,18)/t13-/m1/s1
InChIKeyLTQRFCVUINGPMD-CYBMUJFWSA-N
MW287.32 g/mol
LogP0.81
Rot. Bonds4

About [(3R)-4-[4-(1,3,5-triazin-2-ylamino)phenyl]morpholin-3-yl]methanol

[(3R)-4-[4-(1,3,5-triazin-2-ylamino)phenyl]morpholin-3-yl]methanol (PubChem CID 174854096) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is [(3R)-4-[4-(1,3,5-triazin-2-ylamino)phenyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-4-[4-(1,3,5-triazin-2-ylamino)phenyl]morpholin-3-yl]methanol
PubChem CID174854096
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name[(3R)-4-[4-(1,3,5-triazin-2-ylamino)phenyl]morpholin-3-yl]methanol
SMILESOC[C@@H]1COCCN1c1ccc(Nc2ncncn2)cc1
InChIInChI=1S/C14H17N5O2/c20-7-13-8-21-6-5-19(13)12-3-1-11(2-4-12)18-14-16-9-15-10-17-14/h1-4,9-10,13,20H,5-8H2,(H,15,16,17,18)/t13-/m1/s1
InChIKeyLTQRFCVUINGPMD-CYBMUJFWSA-N
XLogP0.81
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3R)-4-[4-(1,3,5-triazin-2-ylamino)phenyl]morpholin-3-yl]methanol?
The IUPAC name of [(3R)-4-[4-(1,3,5-triazin-2-ylamino)phenyl]morpholin-3-yl]methanol (CID 174854096) is [(3R)-4-[4-(1,3,5-triazin-2-ylamino)phenyl]morpholin-3-yl]methanol.
What is the SMILES notation for [(3R)-4-[4-(1,3,5-triazin-2-ylamino)phenyl]morpholin-3-yl]methanol?
The canonical SMILES for [(3R)-4-[4-(1,3,5-triazin-2-ylamino)phenyl]morpholin-3-yl]methanol is OC[C@@H]1COCCN1c1ccc(Nc2ncncn2)cc1.
What is the InChIKey of [(3R)-4-[4-(1,3,5-triazin-2-ylamino)phenyl]morpholin-3-yl]methanol?
The InChIKey is LTQRFCVUINGPMD-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-7-13-8-21-6-5-19(13)12-3-1-11(2-4-12)18-14-16-9-15-10-17-14/h1-4,9-10,13,20H,5-8H2,(H,15,16,17,18)/t13-/m1/s1.
What are the key properties of [(3R)-4-[4-(1,3,5-triazin-2-ylamino)phenyl]morpholin-3-yl]methanol?
[(3R)-4-[4-(1,3,5-triazin-2-ylamino)phenyl]morpholin-3-yl]methanol has a molecular weight of 287.32 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-[4-(1,3,5-triazin-2-ylamino)phenyl]morpholin-3-yl]methanol is sourced from PubChem (CID 174854096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).