6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine

C19H27ClN6O — CID 1254574

IUPAC6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESC[C@H](CCc1ccccc1)Nc1nc(Cl)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C19H27ClN6O/c1-15(7-8-16-5-3-2-4-6-16)22-19-24-17(20)23-18(25-19)21-9-10-26-11-13-27-14-12-26/h2-6,15H,7-14H2,1H3,(H2,21,22,23,24,25)/t15-/m1/s1
InChIKeySEJGXIVVZQIXRC-OAHLLOKOSA-N
MW390.92 g/mol
LogP2.70
Rot. Bonds9

About 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine

6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 1254574) has the molecular formula C19H27ClN6O and a molecular weight of 390.92 g/mol. Its IUPAC name is 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID1254574
Molecular FormulaC19H27ClN6O
Molecular Weight390.92 g/mol
Exact Mass390.19
IUPAC Name6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESC[C@H](CCc1ccccc1)Nc1nc(Cl)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C19H27ClN6O/c1-15(7-8-16-5-3-2-4-6-16)22-19-24-17(20)23-18(25-19)21-9-10-26-11-13-27-14-12-26/h2-6,15H,7-14H2,1H3,(H2,21,22,23,24,25)/t15-/m1/s1
InChIKeySEJGXIVVZQIXRC-OAHLLOKOSA-N
XLogP2.70
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-6-methyl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
CID 143985982
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913296
2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine
CID 112933992
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 1095343
6-chloro-2-N-cyclohexyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 779526
4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181589
4-chloro-N-(2-morpholin-4-ylethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62870405
2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine
CID 111171777
(2R)-N-(2-morpholin-4-ylethyl)-2-phenylpropan-1-amine
CID 28617584
methane;4-(2-phenylethyl)morpholine
CID 143698819
6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80769646

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine (CID 1254574) is 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine is C[C@H](CCc1ccccc1)Nc1nc(Cl)nc(NCCN2CCOCC2)n1.
What is the InChIKey of 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SEJGXIVVZQIXRC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27ClN6O/c1-15(7-8-16-5-3-2-4-6-16)22-19-24-17(20)23-18(25-19)21-9-10-26-11-13-27-14-12-26/h2-6,15H,7-14H2,1H3,(H2,21,22,23,24,25)/t15-/m1/s1.
What are the key properties of 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 390.92 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1254574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).