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

C12H16N6O — CID 141026020

IUPAC2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESCC(CO)Nc1nc(N)nc(Nc2ccccc2)n1
InChIInChI=1S/C12H16N6O/c1-8(7-19)14-11-16-10(13)17-12(18-11)15-9-5-3-2-4-6-9/h2-6,8,19H,7H2,1H3,(H4,13,14,15,16,17,18)
InChIKeyHWUHSNWNSRHVFJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.99
Rot. Bonds5

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

2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol (PubChem CID 141026020) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol
PubChem CID141026020
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESCC(CO)Nc1nc(N)nc(Nc2ccccc2)n1
InChIInChI=1S/C12H16N6O/c1-8(7-19)14-11-16-10(13)17-12(18-11)15-9-5-3-2-4-6-9/h2-6,8,19H,7H2,1H3,(H4,13,14,15,16,17,18)
InChIKeyHWUHSNWNSRHVFJ-UHFFFAOYSA-N
XLogP0.99
TPSA108.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

(2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride
CID 134152755
2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 68938423
(4-amino-6-anilino-1,3,5-triazin-2-yl)methanol
CID 117058513
6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 18126026
6-[(1S)-1-(4-bromoanilino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 25329937
2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
CID 162156897
6-[1,2-bis[[4-anilino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-phenylethenyl]cyclohexa-2,4-diene-1,1-disulfonic acid
CID 154446622
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778918
2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 10708431
(2R)-2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 129363218
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778446
[2-(4-amino-6-anilino-1,3,5-triazin-2-yl)phenyl]methanol
CID 155540592

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol?
The IUPAC name of 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol (CID 141026020) is 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol is CC(CO)Nc1nc(N)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol?
The InChIKey is HWUHSNWNSRHVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-8(7-19)14-11-16-10(13)17-12(18-11)15-9-5-3-2-4-6-9/h2-6,8,19H,7H2,1H3,(H4,13,14,15,16,17,18).
What are the key properties of 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol?
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol has a molecular weight of 260.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 141026020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).