2-(aminomethyl)-3-(2-methylpyrimidin-4-yl)-N-propylpropanamide

C12H20N4O — CID 115527337

IUPAC2-(aminomethyl)-3-(2-methylpyrimidin-4-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(CN)Cc1ccnc(C)n1
InChIInChI=1S/C12H20N4O/c1-3-5-15-12(17)10(8-13)7-11-4-6-14-9(2)16-11/h4,6,10H,3,5,7-8,13H2,1-2H3,(H,15,17)
InChIKeyDEUIUBWGZXXWJD-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.43
Rot. Bonds6

About 2-(aminomethyl)-3-(2-methylpyrimidin-4-yl)-N-propylpropanamide

2-(aminomethyl)-3-(2-methylpyrimidin-4-yl)-N-propylpropanamide (PubChem CID 115527337) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2-methylpyrimidin-4-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2-methylpyrimidin-4-yl)-N-propylpropanamide
PubChem CID115527337
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(aminomethyl)-3-(2-methylpyrimidin-4-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(CN)Cc1ccnc(C)n1
InChIInChI=1S/C12H20N4O/c1-3-5-15-12(17)10(8-13)7-11-4-6-14-9(2)16-11/h4,6,10H,3,5,7-8,13H2,1-2H3,(H,15,17)
InChIKeyDEUIUBWGZXXWJD-UHFFFAOYSA-N
XLogP0.43
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(4-methyl-2-pyrimidinyl)-3-piperidinecarboxamide
CID 24792325
N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 56868588
1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide
CID 56870713
N-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)acetamide
CID 56917547
3-(2-Methyl-6-(piperidin-4-yl)pyrimidin-4-yl)propanamide
CID 66509972
N-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide
CID 66509973
N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}cyclohex-3-ene-1-carboxamide
CID 71797006
1-(6-cyclopropylpyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 76146836
(3S,4S)-N-methyl-1-(2-methylpropanoyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 92553173
(3S,4S)-N-methyl-1-propanoyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 92585512
(3S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 92610188
(3S,4S)-1-(3-methoxypropanoyl)-N-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 92610189

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2-methylpyrimidin-4-yl)-N-propylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(2-methylpyrimidin-4-yl)-N-propylpropanamide (CID 115527337) is 2-(aminomethyl)-3-(2-methylpyrimidin-4-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(2-methylpyrimidin-4-yl)-N-propylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(2-methylpyrimidin-4-yl)-N-propylpropanamide is CCCNC(=O)C(CN)Cc1ccnc(C)n1.
What is the InChIKey of 2-(aminomethyl)-3-(2-methylpyrimidin-4-yl)-N-propylpropanamide?
The InChIKey is DEUIUBWGZXXWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-5-15-12(17)10(8-13)7-11-4-6-14-9(2)16-11/h4,6,10H,3,5,7-8,13H2,1-2H3,(H,15,17).
What are the key properties of 2-(aminomethyl)-3-(2-methylpyrimidin-4-yl)-N-propylpropanamide?
2-(aminomethyl)-3-(2-methylpyrimidin-4-yl)-N-propylpropanamide has a molecular weight of 236.32 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2-methylpyrimidin-4-yl)-N-propylpropanamide is sourced from PubChem (CID 115527337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).