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

C12H21N5O — CID 112746327

IUPAC[1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol
SMILESCc1nc(N)nc(NCC2(CO)CCCCC2)n1
InChIInChI=1S/C12H21N5O/c1-9-15-10(13)17-11(16-9)14-7-12(8-18)5-3-2-4-6-12/h18H,2-8H2,1H3,(H3,13,14,15,16,17)
InChIKeyMCTJPRMKLADIPH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.12
Rot. Bonds4

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

[1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 112746327) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol
PubChem CID112746327
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name[1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol
SMILESCc1nc(N)nc(NCC2(CO)CCCCC2)n1
InChIInChI=1S/C12H21N5O/c1-9-15-10(13)17-11(16-9)14-7-12(8-18)5-3-2-4-6-12/h18H,2-8H2,1H3,(H3,13,14,15,16,17)
InChIKeyMCTJPRMKLADIPH-UHFFFAOYSA-N
XLogP1.12
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol (CID 112746327) is [1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol is Cc1nc(N)nc(NCC2(CO)CCCCC2)n1.
What is the InChIKey of [1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is MCTJPRMKLADIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9-15-10(13)17-11(16-9)14-7-12(8-18)5-3-2-4-6-12/h18H,2-8H2,1H3,(H3,13,14,15,16,17).
What are the key properties of [1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol?
[1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 112746327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).