[4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol

C13H17N5O2 — CID 175988761

IUPAC[4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol
SMILESCC(C)Oc1ccc(Nc2nc(N)nc(CO)n2)cc1
InChIInChI=1S/C13H17N5O2/c1-8(2)20-10-5-3-9(4-6-10)15-13-17-11(7-19)16-12(14)18-13/h3-6,8,19H,7H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyWWTLYOXPIGPABG-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.48
Rot. Bonds5

About [4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol

[4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol (PubChem CID 175988761) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is [4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol.

Molecular Properties

Compound Name[4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol
PubChem CID175988761
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name[4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol
SMILESCC(C)Oc1ccc(Nc2nc(N)nc(CO)n2)cc1
InChIInChI=1S/C13H17N5O2/c1-8(2)20-10-5-3-9(4-6-10)15-13-17-11(7-19)16-12(14)18-13/h3-6,8,19H,7H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyWWTLYOXPIGPABG-UHFFFAOYSA-N
XLogP1.48
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol with MolForge

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Related Compounds

6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80755806
(4-amino-6-anilino-1,3,5-triazin-2-yl)methanol
CID 117058513
6-(chloromethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 931904
[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl (2S)-2-(4-chlorophenoxy)propanoate
CID 25356785
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-(4-methylphenoxy)propanoate
CID 55445003
4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
CID 18590620
6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 80919860
2-N-(4-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 940705
5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 83736723
6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 142393995
2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905183
N-(4-chlorophenyl)-4-propan-2-yloxyaniline
CID 82535862

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol?
The IUPAC name of [4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol (CID 175988761) is [4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol.
What is the SMILES notation for [4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol?
The canonical SMILES for [4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol is CC(C)Oc1ccc(Nc2nc(N)nc(CO)n2)cc1.
What is the InChIKey of [4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol?
The InChIKey is WWTLYOXPIGPABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8(2)20-10-5-3-9(4-6-10)15-13-17-11(7-19)16-12(14)18-13/h3-6,8,19H,7H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of [4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol?
[4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol has a molecular weight of 275.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol is sourced from PubChem (CID 175988761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).