N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine

C11H17N3O — CID 20607230

IUPACN-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine
SMILESCNC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C11H17N3O/c1-12-9-3-5-10(6-4-9)15-11-13-7-2-8-14-11/h2,7-10,12H,3-6H2,1H3
InChIKeyIVDSJGMQLNFGDD-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.39
Rot. Bonds3

About N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine

N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine (PubChem CID 20607230) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine
PubChem CID20607230
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine
SMILESCNC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C11H17N3O/c1-12-9-3-5-10(6-4-9)15-11-13-7-2-8-14-11/h2,7-10,12H,3-6H2,1H3
InChIKeyIVDSJGMQLNFGDD-UHFFFAOYSA-N
XLogP1.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine?
The IUPAC name of N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine (CID 20607230) is N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine?
The canonical SMILES for N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine is CNC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine?
The InChIKey is IVDSJGMQLNFGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-12-9-3-5-10(6-4-9)15-11-13-7-2-8-14-11/h2,7-10,12H,3-6H2,1H3.
What are the key properties of N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine?
N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine has a molecular weight of 207.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine is sourced from PubChem (CID 20607230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).