1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol

C13H24N6O — CID 80843227

IUPAC1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol
SMILESCN(C)c1nc(N)nc(NCC2(O)CCCCCC2)n1
InChIInChI=1S/C13H24N6O/c1-19(2)12-17-10(14)16-11(18-12)15-9-13(20)7-5-3-4-6-8-13/h20H,3-9H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyXQRDYVZNQKGNRN-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.02
Rot. Bonds4

About 1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol

1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol (PubChem CID 80843227) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol
PubChem CID80843227
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol
SMILESCN(C)c1nc(N)nc(NCC2(O)CCCCCC2)n1
InChIInChI=1S/C13H24N6O/c1-19(2)12-17-10(14)16-11(18-12)15-9-13(20)7-5-3-4-6-8-13/h20H,3-9H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyXQRDYVZNQKGNRN-UHFFFAOYSA-N
XLogP1.02
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80915853
1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 80843196
4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol
CID 81133323
1-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 80843488
1-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]-3-methylcyclohexan-1-ol
CID 80909785
4-N-[2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 130243747
3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol
CID 80842330
2-N,2-N,6-N-trimethyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80845752
3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol
CID 106103384
4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 81047209
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80829643
1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
CID 116795995

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol (CID 80843227) is 1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol is CN(C)c1nc(N)nc(NCC2(O)CCCCCC2)n1.
What is the InChIKey of 1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol?
The InChIKey is XQRDYVZNQKGNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-19(2)12-17-10(14)16-11(18-12)15-9-13(20)7-5-3-4-6-8-13/h20H,3-9H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol?
1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol has a molecular weight of 280.38 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 80843227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).