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

C13H14ClN5O — CID 171499782

IUPAC4-[3-chloro-5-[(3R)-morpholin-3-yl]phenyl]-1,3,5-triazin-2-amine
SMILESNc1ncnc(-c2cc(Cl)cc([C@@H]3COCCN3)c2)n1
InChIInChI=1S/C13H14ClN5O/c14-10-4-8(11-6-20-2-1-16-11)3-9(5-10)12-17-7-18-13(15)19-12/h3-5,7,11,16H,1-2,6H2,(H2,15,17,18,19)/t11-/m0/s1
InChIKeyDKRVHXMMZXPCCZ-NSHDSACASA-N
MW291.74 g/mol
LogP1.44
Rot. Bonds2

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

4-[3-chloro-5-[(3R)-morpholin-3-yl]phenyl]-1,3,5-triazin-2-amine (PubChem CID 171499782) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is 4-[3-chloro-5-[(3R)-morpholin-3-yl]phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[3-chloro-5-[(3R)-morpholin-3-yl]phenyl]-1,3,5-triazin-2-amine
PubChem CID171499782
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name4-[3-chloro-5-[(3R)-morpholin-3-yl]phenyl]-1,3,5-triazin-2-amine
SMILESNc1ncnc(-c2cc(Cl)cc([C@@H]3COCCN3)c2)n1
InChIInChI=1S/C13H14ClN5O/c14-10-4-8(11-6-20-2-1-16-11)3-9(5-10)12-17-7-18-13(15)19-12/h3-5,7,11,16H,1-2,6H2,(H2,15,17,18,19)/t11-/m0/s1
InChIKeyDKRVHXMMZXPCCZ-NSHDSACASA-N
XLogP1.44
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-[(3R)-morpholin-3-yl]phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[3-chloro-5-[(3R)-morpholin-3-yl]phenyl]-1,3,5-triazin-2-amine (CID 171499782) is 4-[3-chloro-5-[(3R)-morpholin-3-yl]phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[3-chloro-5-[(3R)-morpholin-3-yl]phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[3-chloro-5-[(3R)-morpholin-3-yl]phenyl]-1,3,5-triazin-2-amine is Nc1ncnc(-c2cc(Cl)cc([C@@H]3COCCN3)c2)n1.
What is the InChIKey of 4-[3-chloro-5-[(3R)-morpholin-3-yl]phenyl]-1,3,5-triazin-2-amine?
The InChIKey is DKRVHXMMZXPCCZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H14ClN5O/c14-10-4-8(11-6-20-2-1-16-11)3-9(5-10)12-17-7-18-13(15)19-12/h3-5,7,11,16H,1-2,6H2,(H2,15,17,18,19)/t11-/m0/s1.
What are the key properties of 4-[3-chloro-5-[(3R)-morpholin-3-yl]phenyl]-1,3,5-triazin-2-amine?
4-[3-chloro-5-[(3R)-morpholin-3-yl]phenyl]-1,3,5-triazin-2-amine has a molecular weight of 291.74 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-[(3R)-morpholin-3-yl]phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 171499782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).