[6-(2-methylpropoxy)pyrimidin-4-yl]methanamine

C9H15N3O — CID 83619704

IUPAC[6-(2-methylpropoxy)pyrimidin-4-yl]methanamine
SMILESCC(C)COc1cc(CN)ncn1
InChIInChI=1S/C9H15N3O/c1-7(2)5-13-9-3-8(4-10)11-6-12-9/h3,6-7H,4-5,10H2,1-2H3
InChIKeyYVUTZNJAWDAIRF-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.97
Rot. Bonds4

About [6-(2-methylpropoxy)pyrimidin-4-yl]methanamine

[6-(2-methylpropoxy)pyrimidin-4-yl]methanamine (PubChem CID 83619704) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [6-(2-methylpropoxy)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-(2-methylpropoxy)pyrimidin-4-yl]methanamine
PubChem CID83619704
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[6-(2-methylpropoxy)pyrimidin-4-yl]methanamine
SMILESCC(C)COc1cc(CN)ncn1
InChIInChI=1S/C9H15N3O/c1-7(2)5-13-9-3-8(4-10)11-6-12-9/h3,6-7H,4-5,10H2,1-2H3
InChIKeyYVUTZNJAWDAIRF-UHFFFAOYSA-N
XLogP0.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-6-(2-methylpropoxy)pyrimidine
CID 115416023
1-[6-(2-methylpropoxy)pyrimidin-4-yl]ethanone
CID 83878792
[6-(2-methylpropoxy)pyridazin-3-yl]methanamine
CID 62292495
N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82453563
6-(2-methylpropoxy)-N-propylpyrimidin-4-amine
CID 80860454
4-methoxy-6-(2-methylpropyl)pyrimidine
CID 146431371
1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine
CID 66318346
6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453564
4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine
CID 106447502
[5-(2-methylpropoxy)-2-pyridinyl]methanamine
CID 79787202
4-[6-(aminomethyl)pyrimidin-4-yl]oxy-3-methylaniline
CID 68537192
[3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine
CID 65471579

Frequently Asked Questions

What is the IUPAC name of [6-(2-methylpropoxy)pyrimidin-4-yl]methanamine?
The IUPAC name of [6-(2-methylpropoxy)pyrimidin-4-yl]methanamine (CID 83619704) is [6-(2-methylpropoxy)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-(2-methylpropoxy)pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-(2-methylpropoxy)pyrimidin-4-yl]methanamine is CC(C)COc1cc(CN)ncn1.
What is the InChIKey of [6-(2-methylpropoxy)pyrimidin-4-yl]methanamine?
The InChIKey is YVUTZNJAWDAIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)5-13-9-3-8(4-10)11-6-12-9/h3,6-7H,4-5,10H2,1-2H3.
What are the key properties of [6-(2-methylpropoxy)pyrimidin-4-yl]methanamine?
[6-(2-methylpropoxy)pyrimidin-4-yl]methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylpropoxy)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 83619704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).