2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine

C16H22N4O — CID 83185861

IUPAC2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine
SMILESCc1ccc(Oc2ncc(CNCC(C)C)c(C)n2)cn1
InChIInChI=1S/C16H22N4O/c1-11(2)7-17-8-14-9-19-16(20-13(14)4)21-15-6-5-12(3)18-10-15/h5-6,9-11,17H,7-8H2,1-4H3
InChIKeyZLMFYAKXDIIDNO-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.03
Rot. Bonds6

About 2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine

2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 83185861) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID83185861
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine
SMILESCc1ccc(Oc2ncc(CNCC(C)C)c(C)n2)cn1
InChIInChI=1S/C16H22N4O/c1-11(2)7-17-8-14-9-19-16(20-13(14)4)21-15-6-5-12(3)18-10-15/h5-6,9-11,17H,7-8H2,1-4H3
InChIKeyZLMFYAKXDIIDNO-UHFFFAOYSA-N
XLogP3.03
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-2-amine
CID 83189037
[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol
CID 83184999
2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine
CID 62288410
N-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
CID 83189345
2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine
CID 83186101
N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63072151
N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83187491
N-[[2-(4-bromophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189213
N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 83186354
2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 83186537
N-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 83179075
N-[[2-(3,4-difluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83188179

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine (CID 83185861) is 2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine is Cc1ccc(Oc2ncc(CNCC(C)C)c(C)n2)cn1.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is ZLMFYAKXDIIDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(2)7-17-8-14-9-19-16(20-13(14)4)21-15-6-5-12(3)18-10-15/h5-6,9-11,17H,7-8H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine?
2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 83185861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).