2-(4-aminocyclohexyl)oxy-N-methylpyrimidin-4-amine;dihydrochloride

C11H20Cl2N4O — CID 135203298

IUPAC2-(4-aminocyclohexyl)oxy-N-methylpyrimidin-4-amine;dihydrochloride
SMILESCNc1ccnc(OC2CCC(N)CC2)n1.Cl.Cl
InChIInChI=1S/C11H18N4O.2ClH/c1-13-10-6-7-14-11(15-10)16-9-4-2-8(12)3-5-9;;/h6-9H,2-5,12H2,1H3,(H,13,14,15);2*1H
InChIKeyTUNMVXIUGHRNRV-UHFFFAOYSA-N
MW295.21 g/mol
LogP2.01
Rot. Bonds3

About 2-(4-aminocyclohexyl)oxy-N-methylpyrimidin-4-amine;dihydrochloride

2-(4-aminocyclohexyl)oxy-N-methylpyrimidin-4-amine;dihydrochloride (PubChem CID 135203298) has the molecular formula C11H20Cl2N4O and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)oxy-N-methylpyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)oxy-N-methylpyrimidin-4-amine;dihydrochloride
PubChem CID135203298
Molecular FormulaC11H20Cl2N4O
Molecular Weight295.21 g/mol
Exact Mass294.10
IUPAC Name2-(4-aminocyclohexyl)oxy-N-methylpyrimidin-4-amine;dihydrochloride
SMILESCNc1ccnc(OC2CCC(N)CC2)n1.Cl.Cl
InChIInChI=1S/C11H18N4O.2ClH/c1-13-10-6-7-14-11(15-10)16-9-4-2-8(12)3-5-9;;/h6-9H,2-5,12H2,1H3,(H,13,14,15);2*1H
InChIKeyTUNMVXIUGHRNRV-UHFFFAOYSA-N
XLogP2.01
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-methoxy-N-methylpyrimidin-4-amine
CID 169237983
4-chloro-2-cyclopropyloxypyrimidine
CID 130067625
2-cyclobutyloxy-4-propan-2-ylpyrimidine
CID 58592746
ethane;N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]formamide
CID 145084746
N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine
CID 20607230
N-ethyl-2-pyrrolidin-3-yloxypyrimidin-4-amine
CID 129317548
4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine
CID 106878594
2-[[(2-cyclobutyloxypyrimidin-4-yl)amino]methyl]benzenethiol
CID 142303533
4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine
CID 139337026
2-cycloheptyloxypyrimidine-4-carboximidamide
CID 107551067
2-cycloheptyloxypyrimidine-4-carbothioamide
CID 107548590
4-(4-methoxyphenoxy)cyclohexan-1-amine
CID 16756065

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)oxy-N-methylpyrimidin-4-amine;dihydrochloride?
The IUPAC name of 2-(4-aminocyclohexyl)oxy-N-methylpyrimidin-4-amine;dihydrochloride (CID 135203298) is 2-(4-aminocyclohexyl)oxy-N-methylpyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 2-(4-aminocyclohexyl)oxy-N-methylpyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 2-(4-aminocyclohexyl)oxy-N-methylpyrimidin-4-amine;dihydrochloride is CNc1ccnc(OC2CCC(N)CC2)n1.Cl.Cl.
What is the InChIKey of 2-(4-aminocyclohexyl)oxy-N-methylpyrimidin-4-amine;dihydrochloride?
The InChIKey is TUNMVXIUGHRNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.2ClH/c1-13-10-6-7-14-11(15-10)16-9-4-2-8(12)3-5-9;;/h6-9H,2-5,12H2,1H3,(H,13,14,15);2*1H.
What are the key properties of 2-(4-aminocyclohexyl)oxy-N-methylpyrimidin-4-amine;dihydrochloride?
2-(4-aminocyclohexyl)oxy-N-methylpyrimidin-4-amine;dihydrochloride has a molecular weight of 295.21 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)oxy-N-methylpyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 135203298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).