N-methyl-3-(2-methylpyrimidin-4-yl)butan-2-amine

C10H17N3 — CID 63199936

IUPACN-methyl-3-(2-methylpyrimidin-4-yl)butan-2-amine
SMILESCNC(C)C(C)c1ccnc(C)n1
InChIInChI=1S/C10H17N3/c1-7(8(2)11-4)10-5-6-12-9(3)13-10/h5-8,11H,1-4H3
InChIKeyCWZINCSDXFHGOD-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.50
Rot. Bonds3

About N-methyl-3-(2-methylpyrimidin-4-yl)butan-2-amine

N-methyl-3-(2-methylpyrimidin-4-yl)butan-2-amine (PubChem CID 63199936) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-methyl-3-(2-methylpyrimidin-4-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methylpyrimidin-4-yl)butan-2-amine
PubChem CID63199936
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-methyl-3-(2-methylpyrimidin-4-yl)butan-2-amine
SMILESCNC(C)C(C)c1ccnc(C)n1
InChIInChI=1S/C10H17N3/c1-7(8(2)11-4)10-5-6-12-9(3)13-10/h5-8,11H,1-4H3
InChIKeyCWZINCSDXFHGOD-UHFFFAOYSA-N
XLogP1.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorobutan-2-yl)-2-methylpyrimidine
CID 63203304
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2-(2-methylpyrimidin-4-yl)propanenitrile
CID 83845483
4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol
CID 63200606
N-methyl-1-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)methanamine
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N-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine
CID 115530489
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 104738640
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 107360093
N-[1-(2-methylpyrimidin-4-yl)ethyl]thietan-3-amine
CID 131047742
3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine
CID 115530358
N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
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CID 105260473

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpyrimidin-4-yl)butan-2-amine?
The IUPAC name of N-methyl-3-(2-methylpyrimidin-4-yl)butan-2-amine (CID 63199936) is N-methyl-3-(2-methylpyrimidin-4-yl)butan-2-amine.
What is the SMILES notation for N-methyl-3-(2-methylpyrimidin-4-yl)butan-2-amine?
The canonical SMILES for N-methyl-3-(2-methylpyrimidin-4-yl)butan-2-amine is CNC(C)C(C)c1ccnc(C)n1.
What is the InChIKey of N-methyl-3-(2-methylpyrimidin-4-yl)butan-2-amine?
The InChIKey is CWZINCSDXFHGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(8(2)11-4)10-5-6-12-9(3)13-10/h5-8,11H,1-4H3.
What are the key properties of N-methyl-3-(2-methylpyrimidin-4-yl)butan-2-amine?
N-methyl-3-(2-methylpyrimidin-4-yl)butan-2-amine has a molecular weight of 179.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpyrimidin-4-yl)butan-2-amine is sourced from PubChem (CID 63199936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).