3-(5-methylpyrimidin-2-yl)-N-propylbutan-2-amine

C12H21N3 — CID 63206017

IUPAC3-(5-methylpyrimidin-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)c1ncc(C)cn1
InChIInChI=1S/C12H21N3/c1-5-6-13-11(4)10(3)12-14-7-9(2)8-15-12/h7-8,10-11,13H,5-6H2,1-4H3
InChIKeyMZPYPYNKASTAGS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.28
Rot. Bonds5

About 3-(5-methylpyrimidin-2-yl)-N-propylbutan-2-amine

3-(5-methylpyrimidin-2-yl)-N-propylbutan-2-amine (PubChem CID 63206017) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(5-methylpyrimidin-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-(5-methylpyrimidin-2-yl)-N-propylbutan-2-amine
PubChem CID63206017
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(5-methylpyrimidin-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)c1ncc(C)cn1
InChIInChI=1S/C12H21N3/c1-5-6-13-11(4)10(3)12-14-7-9(2)8-15-12/h7-8,10-11,13H,5-6H2,1-4H3
InChIKeyMZPYPYNKASTAGS-UHFFFAOYSA-N
XLogP2.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine
CID 63873435
3-(3-methylpyrazin-2-yl)-N-propylbutan-2-amine
CID 83064469
3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine
CID 63199903
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine
CID 114659833
N-ethyl-3-pyrimidin-2-ylbutan-2-amine
CID 63199557
N-[(3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine
CID 107360108
N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517868
5-methyl-2-pentan-3-ylpyrimidine
CID 91611404
2-(5-nitropyrimidin-2-yl)-N-propylpentan-3-amine
CID 55222302
3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine
CID 80752686
3-methyl-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]butan-2-amine
CID 62582326
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)-N-propylpropan-1-amine
CID 103011989

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrimidin-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 3-(5-methylpyrimidin-2-yl)-N-propylbutan-2-amine (CID 63206017) is 3-(5-methylpyrimidin-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-(5-methylpyrimidin-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3-(5-methylpyrimidin-2-yl)-N-propylbutan-2-amine is CCCNC(C)C(C)c1ncc(C)cn1.
What is the InChIKey of 3-(5-methylpyrimidin-2-yl)-N-propylbutan-2-amine?
The InChIKey is MZPYPYNKASTAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-6-13-11(4)10(3)12-14-7-9(2)8-15-12/h7-8,10-11,13H,5-6H2,1-4H3.
What are the key properties of 3-(5-methylpyrimidin-2-yl)-N-propylbutan-2-amine?
3-(5-methylpyrimidin-2-yl)-N-propylbutan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrimidin-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 63206017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).