2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol

C11H19N5O — CID 80826322

IUPAC2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCNc1cc(NC2CCCCC2O)nc(N)n1
InChIInChI=1S/C11H19N5O/c1-13-9-6-10(16-11(12)15-9)14-7-4-2-3-5-8(7)17/h6-8,17H,2-5H2,1H3,(H4,12,13,14,15,16)
InChIKeyUESNLZMVIOJBBM-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.82
Rot. Bonds3

About 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol

2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 80826322) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID80826322
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCNc1cc(NC2CCCCC2O)nc(N)n1
InChIInChI=1S/C11H19N5O/c1-13-9-6-10(16-11(12)15-9)14-7-4-2-3-5-8(7)17/h6-8,17H,2-5H2,1H3,(H4,12,13,14,15,16)
InChIKeyUESNLZMVIOJBBM-UHFFFAOYSA-N
XLogP0.82
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80934612
cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 52840167
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80934405
2-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol
CID 79827031
6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine
CID 80925560
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368257
2-cyclopropyl-6-N-methyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine
CID 80959584
4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80803663
4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
CID 80761777
6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80888990
4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80944187
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 66326095

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 80826322) is 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is CNc1cc(NC2CCCCC2O)nc(N)n1.
What is the InChIKey of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is UESNLZMVIOJBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-13-9-6-10(16-11(12)15-9)14-7-4-2-3-5-8(7)17/h6-8,17H,2-5H2,1H3,(H4,12,13,14,15,16).
What are the key properties of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 237.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 80826322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).