2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid

C12H19N3O2 — CID 106489036

IUPAC2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid
SMILESCC(C)CC(CN)(Cc1ncccn1)C(=O)O
InChIInChI=1S/C12H19N3O2/c1-9(2)6-12(8-13,11(16)17)7-10-14-4-3-5-15-10/h3-5,9H,6-8,13H2,1-2H3,(H,16,17)
InChIKeyHMYHQYZAECSEEL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.09
Rot. Bonds6

About 2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid

2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid (PubChem CID 106489036) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid
PubChem CID106489036
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid
SMILESCC(C)CC(CN)(Cc1ncccn1)C(=O)O
InChIInChI=1S/C12H19N3O2/c1-9(2)6-12(8-13,11(16)17)7-10-14-4-3-5-15-10/h3-5,9H,6-8,13H2,1-2H3,(H,16,17)
InChIKeyHMYHQYZAECSEEL-UHFFFAOYSA-N
XLogP1.09
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2767267
1-(2-Amino-4-pyrimidinyl)-3-(3-methyl-2-buten-1-yl)-3-piperidinecarboxylic acid
CID 72859792
1-[4-(Ethylamino)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinecarboxylic acid
CID 72915520
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}acetic acid
CID 90487992
(4R)-2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid
CID 129524118
2-Methyl-3-(pyrimidin-2-YL)propanoic acid
CID 42614418
1-(Pyrimidin-2-yl)cyclopropane-1-carboxylic acid
CID 91663958
(3R)-3-pyrimidin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405523
3-Pyrimidin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405577
(3S)-3-pyrimidin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 166025419
2-(5-Fluoropyrimidin-2-yl)-4-methylpentanoic acid
CID 104606815
2-(5-Fluoropyrimidin-2-yl)pentanoic acid
CID 104606816

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid?
The IUPAC name of 2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid (CID 106489036) is 2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid?
The canonical SMILES for 2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid is CC(C)CC(CN)(Cc1ncccn1)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid?
The InChIKey is HMYHQYZAECSEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)6-12(8-13,11(16)17)7-10-14-4-3-5-15-10/h3-5,9H,6-8,13H2,1-2H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid?
2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid is sourced from PubChem (CID 106489036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).