(2R)-2-[[4-(2-hydroxyethylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]butan-1-ol

C17H26N6O3 — CID 23844986

IUPAC(2R)-2-[[4-(2-hydroxyethylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(NCCO)nc(NCc2ccc(OC)cc2)n1
InChIInChI=1S/C17H26N6O3/c1-3-13(11-25)20-17-22-15(18-8-9-24)21-16(23-17)19-10-12-4-6-14(26-2)7-5-12/h4-7,13,24-25H,3,8-11H2,1-2H3,(H3,18,19,20,21,22,23)/t13-/m1/s1
InChIKeySROQPHVQBVLDLY-CYBMUJFWSA-N
MW362.43 g/mol
LogP1.08
Rot. Bonds11

About (2R)-2-[[4-(2-hydroxyethylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]butan-1-ol

(2R)-2-[[4-(2-hydroxyethylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]butan-1-ol (PubChem CID 23844986) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2R)-2-[[4-(2-hydroxyethylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[4-(2-hydroxyethylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]butan-1-ol
PubChem CID23844986
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC Name(2R)-2-[[4-(2-hydroxyethylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(NCCO)nc(NCc2ccc(OC)cc2)n1
InChIInChI=1S/C17H26N6O3/c1-3-13(11-25)20-17-22-15(18-8-9-24)21-16(23-17)19-10-12-4-6-14(26-2)7-5-12/h4-7,13,24-25H,3,8-11H2,1-2H3,(H3,18,19,20,21,22,23)/t13-/m1/s1
InChIKeySROQPHVQBVLDLY-CYBMUJFWSA-N
XLogP1.08
TPSA124.45 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (2R)-2-[[4-(2-hydroxyethylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]butan-1-ol with MolForge

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Related Compounds

3-[(4-methoxyphenyl)methylamino]pentan-1-ol
CID 111449217
2-[(4-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17292349
2-[(5-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 114600360
(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol
CID 28723100
N-[2-[2-[2-[[4-(butan-2-ylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23873011
2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 112683347
2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-[(4-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 23872862
3-methoxy-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 106198781
2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol
CID 22006364
2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 10708587
2-[1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]ethylamino]ethanol
CID 174189613
6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80771579

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2-hydroxyethylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[4-(2-hydroxyethylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]butan-1-ol (CID 23844986) is (2R)-2-[[4-(2-hydroxyethylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[4-(2-hydroxyethylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[4-(2-hydroxyethylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]butan-1-ol is CC[C@H](CO)Nc1nc(NCCO)nc(NCc2ccc(OC)cc2)n1.
What is the InChIKey of (2R)-2-[[4-(2-hydroxyethylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]butan-1-ol?
The InChIKey is SROQPHVQBVLDLY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N6O3/c1-3-13(11-25)20-17-22-15(18-8-9-24)21-16(23-17)19-10-12-4-6-14(26-2)7-5-12/h4-7,13,24-25H,3,8-11H2,1-2H3,(H3,18,19,20,21,22,23)/t13-/m1/s1.
What are the key properties of (2R)-2-[[4-(2-hydroxyethylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]butan-1-ol?
(2R)-2-[[4-(2-hydroxyethylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]butan-1-ol has a molecular weight of 362.43 g/mol, XLogP of 1.08, 11 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2-hydroxyethylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 23844986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).