N-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine

C16H20ClN3O — CID 83187072

IUPACN-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(Oc2cccc(Cl)c2)ncc1CNC(C)(C)C
InChIInChI=1S/C16H20ClN3O/c1-11-12(10-19-16(2,3)4)9-18-15(20-11)21-14-7-5-6-13(17)8-14/h5-9,19H,10H2,1-4H3
InChIKeyLGMIESBBNBQNFF-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.12
Rot. Bonds4

About N-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 83187072) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID83187072
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(Oc2cccc(Cl)c2)ncc1CNC(C)(C)C
InChIInChI=1S/C16H20ClN3O/c1-11-12(10-19-16(2,3)4)9-18-15(20-11)21-14-7-5-6-13(17)8-14/h5-9,19H,10H2,1-4H3
InChIKeyLGMIESBBNBQNFF-UHFFFAOYSA-N
XLogP4.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine (CID 83187072) is N-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine is Cc1nc(Oc2cccc(Cl)c2)ncc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is LGMIESBBNBQNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-11-12(10-19-16(2,3)4)9-18-15(20-11)21-14-7-5-6-13(17)8-14/h5-9,19H,10H2,1-4H3.
What are the key properties of N-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 305.81 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 83187072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).