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

C13H16ClN5O — CID 2837386

IUPAC2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nc(Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/C13H16ClN5O/c1-13(2,8-20)19-12-17-10(14)16-11(18-12)15-9-6-4-3-5-7-9/h3-7,20H,8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyPMPYLVGBKJNJAL-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.45
Rot. Bonds5

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

2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol (PubChem CID 2837386) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
PubChem CID2837386
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nc(Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/C13H16ClN5O/c1-13(2,8-20)19-12-17-10(14)16-11(18-12)15-9-6-4-3-5-7-9/h3-7,20H,8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyPMPYLVGBKJNJAL-UHFFFAOYSA-N
XLogP2.45
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 779516
6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 118921034
2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 753616
4-N-(4-anilinophenyl)-6-N-(4-propan-2-ylphenyl)-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 175120225
bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane
CID 159104924
6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 23033168
6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 118715065
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 62864023
2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane
CID 91073006
6-chloro-2-N-(4-nitrophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 4187713
6-N-(4-anilinophenyl)-4-N-[4-(5-methylhexan-2-ylamino)phenyl]-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 175506207

Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol (CID 2837386) is 2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol is CC(C)(CO)Nc1nc(Cl)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol?
The InChIKey is PMPYLVGBKJNJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-13(2,8-20)19-12-17-10(14)16-11(18-12)15-9-6-4-3-5-7-9/h3-7,20H,8H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol?
2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol has a molecular weight of 293.76 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 2837386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).